{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.41264 5.049974 4.825208 4.661903 4.533566 4.42783 4.337915 4.259696 4.190479 4.128402 4.072131 4.02067 3.973263 3.929317 3.88836 3.850013 3.813961 3.779946 3.74775 3.717188 3.688103 3.660358 3.633834 3.60843 3.591135 3.572933 3.553723 3.533388 3.511786 3.48875 3.464075 3.437511 3.408744 3.377376 3.342888 3.30459 3.261537 3.212375 3.155083 3.086426 3.00075 2.88674 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41264e-10 5.049974e-10 4.825208000000001e-10 4.661903e-10 4.533566000000001e-10 4.42783e-10 4.3379149999999997e-10 4.259696e-10 4.190479e-10 4.1284020000000006e-10 4.072131e-10 4.02067e-10 3.973263e-10 3.9293170000000003e-10 3.8883600000000004e-10 3.850013e-10 3.813961e-10 3.7799459999999997e-10 3.74775e-10 3.717188e-10 3.688103e-10 3.660358e-10 3.633834e-10 3.60843e-10 3.591135e-10 3.572933e-10 3.5537230000000004e-10 3.533388e-10 3.511786e-10 3.48875e-10 3.464075e-10 3.437511e-10 3.408744e-10 3.377376e-10 3.342888e-10 3.30459e-10 3.2615370000000005e-10 3.2123750000000005e-10 3.155083e-10 3.086426e-10 3.00075e-10 2.8867400000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.14022 1.66663 2.05633 2.37469 2.64279 2.87264 3.07194 3.246 3.39868 3.53292 3.65099 3.75472 3.84591 3.92622 3.99579 4.05534 4.10576 4.14783 4.18219 4.2094 4.22991 4.24413 4.25242 4.25511 4.25381 4.24954 4.24164 4.22926 4.21135 4.18651 4.15294 4.10819 4.04897 3.97068 3.86673 3.72742 3.53789 3.27424 2.8956 2.32623 1.40864 -0.246197 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8268338265685762e-19 2.670235621523904e-19 3.294603850649664e-19 3.8046727996475526e-19 4.2342163516840323e-19 4.602476647974912e-19 4.921790448500352e-19 5.2006653111168e-19 5.445285637580544e-19 5.660361827156737e-19 5.849530820774593e-19 6.015724601650176e-19 6.161827087700928e-19 6.290497892117376e-19 6.4019613196264325e-19 6.497370937395073e-19 6.578152682615808e-19 6.645556253052864e-19 6.700607041743553e-19 6.74420226759552e-19 6.777062910088129e-19 6.799845861635904e-19 6.813127905822336e-19 6.817437760932288e-19 6.815354931325248e-19 6.808513637154432e-19 6.795856441850113e-19 6.776021495284609e-19 6.747326512006081e-19 6.707528444745409e-19 6.653743375585152e-19 6.582045971804351e-19 6.487165072320576e-19 6.361730664678144e-19 6.195184404945984e-19 5.971985179902337e-19 5.668324644962113e-19 5.245910778888192e-19 4.63926262318848e-19 3.7270313206035837e-19 2.256890075123712e-19 -3.944510775110976e-20 ] } }