{ "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" [ 5.39059 5.029401 4.805551 4.642912 4.515097 4.409792 4.320243 4.242343 4.173407 4.111584 4.055542 4.004291 3.957077 3.91331 3.87252 3.834328 3.798424 3.764548 3.732483 3.702045 3.673078 3.645446 3.619031 3.59373 3.576506 3.558378 3.539246 3.518993 3.49748 3.474537 3.449963 3.423508 3.394858 3.363617 3.329269 3.291128 3.24825 3.199289 3.14223 3.073852 2.988526 2.87498 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.390590000000001e-10 5.029401000000001e-10 4.805551e-10 4.6429120000000003e-10 4.5150970000000003e-10 4.4097920000000007e-10 4.320243e-10 4.242343e-10 4.1734070000000005e-10 4.1115839999999996e-10 4.055542e-10 4.0042910000000006e-10 3.957077e-10 3.9133100000000004e-10 3.8725200000000005e-10 3.8343280000000005e-10 3.798424e-10 3.764548e-10 3.7324830000000006e-10 3.702045e-10 3.673078e-10 3.6454460000000003e-10 3.619031e-10 3.59373e-10 3.5765060000000004e-10 3.558378e-10 3.539246e-10 3.5189930000000003e-10 3.49748e-10 3.474537e-10 3.449963e-10 3.423508e-10 3.3948580000000004e-10 3.3636170000000004e-10 3.329269e-10 3.2911280000000003e-10 3.24825e-10 3.199289e-10 3.14223e-10 3.0738520000000003e-10 2.988526e-10 2.8749799999999997e-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" [ 1.23176 1.74542 2.13211 2.44807 2.71259 2.93829 3.13323 3.3029 3.4513 3.58143 3.69563 3.79575 3.88332 3.95957 4.02557 4.0822 4.13023 4.17031 4.20304 4.22892 4.24841 4.2619 4.26976 4.27231 4.27108 4.26704 4.25958 4.2479 4.231 4.20757 4.17555 4.13187 4.07211 3.98975 3.87477 3.71139 3.47344 3.11521 2.55098 1.60404 -0.140851 -3.8505 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.97349709069584e-19 2.7964711405162796e-19 3.41601682311774e-19 3.92224055239638e-19 4.34604831562206e-19 4.707659581915859e-19 5.01998789494782e-19 5.2918292044386e-19 5.5295922169242e-19 5.73808346230662e-19 5.921052033909419e-19 6.081461958505499e-19 6.221764566344879e-19 6.3439305346873795e-19 6.44967419253138e-19 6.5404054553148e-19 6.617357999045819e-19 6.681573238536539e-19 6.734012479767359e-19 6.775476811055279e-19 6.806703233651939e-19 6.828316596444599e-19 6.840909704787839e-19 6.844995255204539e-19 6.84302457794472e-19 6.836551784343359e-19 6.824599546653719e-19 6.805886123568599e-19 6.778809338454e-19 6.741270339919379e-19 6.6899686440987e-19 6.619985568725579e-19 6.52423949307774e-19 6.3922842255015e-19 6.208065956124179e-19 5.94630233766126e-19 5.56506440760096e-19 4.99111667200314e-19 4.0871205498013197e-19 2.5699554080013595e-19 -2.25668181075534e-20 -6.169181129216999e-19 ] } }