{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.48427 5.116804 4.889063 4.723597 4.593561 4.486425 4.39532 4.316066 4.245932 4.183034 4.126018 4.073877 4.025842 3.981314 3.939815 3.90096 3.864431 3.829966 3.797344 3.766378 3.736907 3.708795 3.681921 3.65618 3.638656 3.620213 3.600749 3.580145 3.558257 3.534916 3.509915 3.483 3.453852 3.422068 3.387124 3.34832 3.304696 3.254884 3.196834 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48427e-10 5.116804000000001e-10 4.889063000000001e-10 4.723597e-10 4.5935610000000005e-10 4.486425e-10 4.39532e-10 4.316066e-10 4.245932e-10 4.1830340000000004e-10 4.1260180000000006e-10 4.0738770000000007e-10 4.025842e-10 3.981314e-10 3.939815e-10 3.90096e-10 3.864431e-10 3.829966e-10 3.797344e-10 3.7663780000000003e-10 3.736907e-10 3.708795e-10 3.681921e-10 3.65618e-10 3.638656e-10 3.620213e-10 3.600749e-10 3.580145e-10 3.5582569999999997e-10 3.5349160000000003e-10 3.509915e-10 3.4830000000000003e-10 3.453852e-10 3.422068e-10 3.387124e-10 3.3483200000000004e-10 3.3046959999999997e-10 3.2548840000000004e-10 3.196834e-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" [ 0.882838 1.31816 1.69229 2.01414 2.28319 2.51205 2.71681 2.91624 3.11424 3.29127 3.42988 3.53379 3.61867 3.69665 3.77146 3.84161 3.90441 3.95797 4.00164 4.03562 4.06062 4.07751 4.08717 4.09025 4.08879 4.08404 4.07534 4.06184 4.04241 4.01553 3.97912 3.93026 3.86489 3.77725 3.65904 3.49812 3.2764 2.96598 2.52105 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4144624152072918e-19 2.1119251518734398e-19 2.7113474959518597e-19 3.2270080456047597e-19 3.6580736689824594e-19 4.0247478134396994e-19 4.35280950101754e-19 4.67233158713616e-19 4.98956256066816e-19 5.273195890185179e-19 5.495273593423919e-19 5.66175576746286e-19 5.797748520156779e-19 5.9226862540761e-19 6.042545088065639e-19 6.15493777894074e-19 6.25555447155594e-19 6.341367052072979e-19 6.41133410567976e-19 6.465776067703079e-19 6.50583048355308e-19 6.53289124690134e-19 6.54836827318578e-19 6.5533029772185e-19 6.55096379933286e-19 6.54335346032136e-19 6.52941452360556e-19 6.50778513904656e-19 6.47665484704794e-19 6.433588339126019e-19 6.375253087882079e-19 6.29697073754484e-19 6.192236450980259e-19 6.0518216907765e-19 5.86242839087136e-19 5.60460612692808e-19 5.2493715236376e-19 4.75202385291132e-19 4.0391674031456994e-19 ] } }