{ "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" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 4.97502 4.641675 4.435082 4.28498 4.167019 4.069832 3.987186 3.915292 3.85167 3.794613 3.742891 3.695591 3.652017 3.611623 3.573978 3.538731 3.505594 3.474329 3.444736 3.416645 3.389911 3.364409 3.34003 3.31668 3.293074 3.268748 3.243656 3.217749 3.190972 3.163265 3.13456 3.104784 3.073852 3.041672 3.008139 2.973134 2.936521 2.898146 2.857831 2.815369 2.770518 2.722994 2.672457 2.6185 2.560625 2.49822 2.430513 2.35652 2.274953 2.184084 2.081512 1.963774 1.825591 1.65834 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.97502e-10 4.6416750000000004e-10 4.4350820000000005e-10 4.28498e-10 4.167019e-10 4.069832e-10 3.987186e-10 3.915292e-10 3.85167e-10 3.794613e-10 3.7428910000000003e-10 3.695591e-10 3.652017e-10 3.611623e-10 3.573978e-10 3.538731e-10 3.505594e-10 3.474329e-10 3.444736e-10 3.416645e-10 3.389911e-10 3.3644090000000006e-10 3.34003e-10 3.31668e-10 3.2930739999999997e-10 3.268748e-10 3.2436560000000003e-10 3.2177490000000003e-10 3.190972e-10 3.163265e-10 3.13456e-10 3.104784e-10 3.0738520000000003e-10 3.0416720000000003e-10 3.008139e-10 2.9731340000000003e-10 2.936521e-10 2.898146e-10 2.8578310000000003e-10 2.815369e-10 2.770518e-10 2.722994e-10 2.672457e-10 2.6185000000000003e-10 2.560625e-10 2.49822e-10 2.430513e-10 2.35652e-10 2.2749530000000002e-10 2.184084e-10 2.0815120000000002e-10 1.963774e-10 1.825591e-10 1.65834e-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" [ 0.419895 0.72171 0.969447 1.17874 1.35863 1.51497 1.65181 1.77214 1.87823 1.97184 2.05442 2.12712 2.19093 2.24666 2.295 2.33658 2.3719 2.40143 2.42557 2.44469 2.4591 2.46908 2.4749 2.4768 2.47477 2.46822 2.45638 2.43832 2.41295 2.37894 2.33474 2.27845 2.20776 2.11986 2.01131 1.87781 1.714 1.51308 1.2664 0.962732 0.587329 0.120542 -0.464366 -1.20449 -2.1527 -3.38641 -5.02318 -7.24892 -10.3728 -14.9413 -21.9681 -33.3414 -52.9836 -90.1458 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.7274595773343e-20 1.15630689852414e-19 1.5532253313013979e-19 1.8885496855611597e-19 2.17676524025142e-19 2.4272495352109796e-19 2.64649138580754e-19 2.83928130017676e-19 3.00925621927782e-19 3.1592359739865596e-19 3.29154372042228e-19 3.40802196171408e-19 3.5102568527296196e-19 3.5995461565424397e-19 3.6769953750299996e-19 3.74361387947172e-19 3.8002027581846e-19 3.8475150341866196e-19 3.88619157813138e-19 3.9168251953734597e-19 3.9399125606693997e-19 3.9559022834767196e-19 3.9652269514865996e-19 3.9682710870911994e-19 3.9650186685241795e-19 3.95452441157148e-19 3.9355546402249193e-19 3.9066193302148797e-19 3.8659721090102994e-19 3.81148208168796e-19 3.7406658744651597e-19 3.6504793517372996e-19 3.5372214854798396e-19 3.39639015935124e-19 3.2224738857305396e-19 3.0085833050915396e-19 2.746130750676e-19 2.42422142137272e-19 2.0289964892975998e-19 1.5424667152040879e-19 9.410048002705859e-20 1.93129575815628e-20 -7.439963548240439e-20 -1.92980573388666e-19 -3.4490056400117997e-19 -5.42562697514394e-19 -8.048021624376119e-19 -1.1614050245735279e-18 -1.66190577891552e-18 -2.3938601741584197e-18 -3.51967765133754e-18 -5.3418812024847595e-18 -8.48890859052024e-18 -1.4442949441323717e-17 ] } }