{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.97138 7.437267 7.106246 6.865741 6.676733 6.521012 6.388591 6.273395 6.171455 6.080033 5.99716 5.921373 5.851554 5.786833 5.726514 5.670038 5.616944 5.566849 5.519432 5.474423 5.431587 5.390726 5.351664 5.31425 5.276426 5.237449 5.197245 5.155735 5.112831 5.068436 5.022444 4.974733 4.925172 4.873611 4.819882 4.763794 4.70513 4.643643 4.579047 4.511011 4.439148 4.363001 4.282027 4.195572 4.102841 4.00285 3.894365 3.775808 3.645116 3.499517 3.335169 3.146519 2.925112 2.65713 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.97138e-10 7.437267000000001e-10 7.106246e-10 6.865741e-10 6.676732999999999e-10 6.521012e-10 6.388591e-10 6.273395e-10 6.171455e-10 6.080033000000001e-10 5.99716e-10 5.921373000000001e-10 5.851554000000001e-10 5.786833e-10 5.726514e-10 5.670038e-10 5.616944e-10 5.566849000000001e-10 5.519432e-10 5.474423e-10 5.431587e-10 5.390726e-10 5.351664e-10 5.314250000000001e-10 5.276426000000001e-10 5.237449e-10 5.197245e-10 5.155735e-10 5.112831e-10 5.068436e-10 5.022444000000001e-10 4.974733e-10 4.925172e-10 4.873611000000001e-10 4.819882e-10 4.763794e-10 4.70513e-10 4.643643e-10 4.5790470000000004e-10 4.511011e-10 4.4391480000000005e-10 4.3630009999999996e-10 4.2820270000000006e-10 4.1955720000000003e-10 4.1028409999999997e-10 4.00285e-10 3.894365e-10 3.775808e-10 3.645116e-10 3.499517e-10 3.335169e-10 3.1465190000000003e-10 2.9251120000000003e-10 2.6571300000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.32564 1.83033 2.09671 2.26442 2.39203 2.49906 2.58845 2.66191 2.7215 2.76916 2.80516 2.82881 2.84375 2.85355 2.86059 2.86618 2.87095 2.8753 2.87954 2.88387 2.88819 2.89185 2.89434 2.89523 2.89414 2.89034 2.88297 2.87074 2.85155 2.82308 2.78401 2.73331 2.66973 2.59186 2.498 2.38614 2.25388 2.09819 1.91019 1.66429 1.33521 0.895611 0.311968 -0.466177 -1.50944 -2.91905 -4.88171 -7.73024 -11.9584 -18.3532 -28.5549 -46.0646 -78.0971 -142.876 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1239094330957597e-19 2.93251195850922e-19 3.3592997702741395e-19 3.6280008135622795e-19 3.83245457382702e-19 4.0039355389640397e-19 4.1471541082772997e-19 4.26485000381094e-19 4.360323709430999e-19 4.436683447807439e-19 4.494361806631439e-19 4.53225328402554e-19 4.5561898029375e-19 4.571891133950699e-19 4.58317045745406e-19 4.59212662483812e-19 4.5997690073823e-19 4.6067384757402e-19 4.613531704668359e-19 4.62046912949358e-19 4.62739053255246e-19 4.633254499032899e-19 4.63724391885156e-19 4.63866985605582e-19 4.63692348352476e-19 4.63083521231556e-19 4.6190271705229795e-19 4.59943255028916e-19 4.568686780682699e-19 4.52307281191272e-19 4.460475770822339e-19 4.379245415478539e-19 4.27737902508882e-19 4.15261753059924e-19 4.0022372317320003e-19 3.82301775345276e-19 3.61111387183992e-19 3.3616709916924603e-19 3.06046178450046e-19 2.66648655019986e-19 2.13924226348314e-19 1.434927017353374e-19 4.9982784015571203e-20 -7.468978967082179e-20 -2.4183894984249596e-19 -4.6768337034777e-19 -7.82136169596414e-19 -1.238520990321216e-18 -1.91594690600256e-18 -2.94050681991288e-18 -4.5749993566206595e-18 -7.38036257745564e-18 -1.2512534880316139e-17 -2.2891258875938398e-17 ] } }