{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.57599 4.269382 4.079358 3.941296 3.832796 3.743404 3.667387 3.601259 3.54274 3.490259 3.442686 3.39918 3.3591 3.321947 3.287321 3.254901 3.224422 3.195665 3.168445 3.142608 3.118018 3.094561 3.072138 3.05066 3.036039 3.02065 3.00441 2.987218 2.968955 2.94948 2.92862 2.906162 2.881842 2.855322 2.826166 2.793788 2.75739 2.715828 2.667392 2.609348 2.536917 2.44053 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.57599e-10 4.269382e-10 4.079358e-10 3.941296e-10 3.832796e-10 3.743404e-10 3.667387e-10 3.601259e-10 3.54274e-10 3.490259e-10 3.442686e-10 3.39918e-10 3.3591000000000003e-10 3.321947e-10 3.287321e-10 3.254901e-10 3.224422e-10 3.195665e-10 3.1684450000000005e-10 3.142608e-10 3.118018e-10 3.0945610000000003e-10 3.072138e-10 3.0506600000000003e-10 3.036039e-10 3.02065e-10 3.00441e-10 2.987218e-10 2.968955e-10 2.94948e-10 2.9286200000000003e-10 2.906162e-10 2.881842e-10 2.855322e-10 2.826166e-10 2.793788e-10 2.75739e-10 2.715828e-10 2.667392e-10 2.609348e-10 2.536917e-10 2.4405299999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.232891 -0.21417 -0.488043 -0.681427 -0.855829 -0.999216 -1.10459 -1.17711 -1.22394 -1.2528 -1.27109 -1.28303 -1.29094 -1.29539 -1.29385 -1.28789 -1.27648 -1.26049 -1.24253 -1.22468 -1.20873 -1.19605 -1.18773 -1.18474 -1.18633 -1.19181 -1.20253 -1.22021 -1.24672 -1.28283 -1.33084 -1.3944 -1.47762 -1.58547 -1.72452 -1.90377 -2.13216 -2.4323 -2.84634 -3.44856 -4.35481 -5.74263 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.731325153947328e-20 -3.4313816687673603e-20 -7.819310845450944e-20 -1.0917664081818816e-19 -1.3711892152026432e-19 -1.6009205143292928e-19 -1.7697482735694722e-19 -1.8859381221098883e-19 -1.9609680532619523e-19 -2.00720687053824e-19 -2.0365106809326721e-19 -2.055640669785024e-19 -2.0683138868555522e-19 -2.0754435728181122e-19 -2.07297622082208e-19 -2.063427248162112e-19 -2.0451464129187843e-19 -2.0195276087521922e-19 -1.990752516642624e-19 -1.962153663961344e-19 -1.9365989468595843e-19 -1.9162833473078402e-19 -1.902953237822784e-19 -1.898162729726592e-19 -1.9007101905536643e-19 -1.9094901184356483e-19 -1.9266654518106243e-19 -1.954991934466368e-19 -1.997465636683776e-19 -2.055320234460864e-19 -2.132240734025472e-19 -2.2340750800435205e-19 -2.367408218426496e-19 -2.540202966979776e-19 -2.762985626102016e-19 -3.050175785380416e-19 -3.4160969038049277e-19 -3.8969741947718406e-19 -4.560339402847872e-19 -5.525202207426048e-19 -6.977174770026048e-19 -9.200707527904705e-19 ] } }