{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.26529 5.845492 5.585319 5.396289 5.247734 5.125341 5.021262 4.930721 4.8506 4.778744 4.713608 4.654041 4.599166 4.548297 4.500888 4.456499 4.414769 4.375396 4.338128 4.302751 4.269084 4.236968 4.206266 4.17686 4.147132 4.116496 4.084897 4.052271 4.01855 3.983657 3.947507 3.910008 3.871055 3.830529 3.788299 3.744215 3.698107 3.64978 3.599009 3.545534 3.489051 3.429202 3.365558 3.297607 3.224723 3.146132 3.060866 2.967683 2.864962 2.750525 2.621352 2.473078 2.299057 2.08843 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.26529e-10 5.845492000000001e-10 5.585319e-10 5.396289000000001e-10 5.247734000000001e-10 5.125341e-10 5.021262e-10 4.930721e-10 4.8506e-10 4.778744e-10 4.713608e-10 4.6540410000000003e-10 4.5991660000000005e-10 4.548297e-10 4.5008879999999997e-10 4.4564990000000003e-10 4.414769e-10 4.3753960000000005e-10 4.3381280000000004e-10 4.302751e-10 4.2690840000000004e-10 4.236968e-10 4.2062660000000003e-10 4.1768599999999995e-10 4.147132e-10 4.116496e-10 4.084897e-10 4.052271e-10 4.0185500000000006e-10 3.983657e-10 3.947507e-10 3.910008e-10 3.8710550000000003e-10 3.830529e-10 3.788299e-10 3.744215e-10 3.698107e-10 3.64978e-10 3.5990090000000005e-10 3.5455340000000003e-10 3.4890510000000003e-10 3.429202e-10 3.3655580000000003e-10 3.297607e-10 3.2247230000000003e-10 3.1461320000000005e-10 3.060866e-10 2.9676830000000003e-10 2.8649619999999997e-10 2.750525e-10 2.621352e-10 2.473078e-10 2.299057e-10 2.0884299999999997e-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" [ 0 0 0 0 2.62611e-29 1.02483e-06 0.00103869 0.0163109 0.0721194 0.183157 0.346575 0.549712 0.777076 1.0141 1.24866 1.47138 1.67541 1.85607 2.01038 2.13666 2.2342 2.30303 2.34366 2.35697 2.34261 2.29627 2.21257 2.08551 1.9084 1.67373 1.37309 0.997017 0.534856 -0.0254912 -0.69774 -1.49759 -2.44308 -3.5551 -4.85807 -6.38055 -8.1587 -10.2558 -12.796 -15.9857 -20.1152 -25.5528 -32.7464 -42.242 -54.7405 -72.4851 -105.522 -173.768 -312.677 -622.091 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 4.2074920803137394e-48 1.64195867982222e-25 1.66416484796946e-22 2.6132942859510598e-21 1.155480175380996e-20 2.93449865753538e-20 5.5527436692855e-20 8.80735721829408e-20 1.245013010042184e-19 1.6247673245393998e-19 2.00057387581044e-19 2.35741065573492e-19 2.68430275436994e-19 2.97375198506838e-19 3.22098386146092e-19 3.42330672680244e-19 3.5795830356827997e-19 3.68986085340102e-19 3.7549572900404393e-19 3.7762822610389797e-19 3.75327500457474e-19 3.6790301393551795e-19 3.54492795508938e-19 3.3413553919733403e-19 3.0575938883255997e-19 2.6816110976248197e-19 2.1999327143790596e-19 1.597397341100778e-19 8.569337857547039e-20 -4.08414050126208e-21 -1.11790272460716e-19 -2.3994037053120596e-19 -3.91424569099272e-19 -5.695898151533399e-19 -7.783486240336379e-19 -1.02227681220687e-18 -1.30716785038158e-18 -1.64316031229772e-18 -2.0501452208663998e-18 -2.56119150181338e-18 -3.22281034282368e-18 -4.09400990932752e-18 -5.24655169276176e-18 -6.767914537342799e-18 -8.7703950033477e-18 -1.161339335331534e-17 -1.69064882772948e-17 -2.78407029336912e-17 -5.00963783389218e-17 -9.96699664421694e-17 ] } }