{ "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" [ "Mo" "Mo" ] } "a" { "source-value" [ 4.75111 4.432769 4.235474 4.092128 3.979476 3.886663 3.807737 3.739079 3.678321 3.623831 3.574437 3.529267 3.487653 3.449078 3.413127 3.379466 3.347821 3.317964 3.289703 3.262876 3.237345 3.212991 3.189709 3.16741 3.152229 3.136252 3.11939 3.10154 3.082578 3.062358 3.040699 3.017382 2.992131 2.964597 2.934324 2.900708 2.862916 2.819764 2.769474 2.709209 2.634005 2.53393 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.75111e-10 4.4327690000000004e-10 4.235474e-10 4.092128e-10 3.979476e-10 3.886663e-10 3.807737e-10 3.739079e-10 3.678321e-10 3.623831e-10 3.574437e-10 3.529267e-10 3.487653e-10 3.449078e-10 3.413127e-10 3.379466e-10 3.347821e-10 3.317964e-10 3.289703e-10 3.262876e-10 3.237345e-10 3.2129910000000004e-10 3.189709e-10 3.16741e-10 3.152229e-10 3.136252e-10 3.11939e-10 3.10154e-10 3.082578e-10 3.062358e-10 3.0406990000000004e-10 3.0173820000000003e-10 2.992131e-10 2.964597e-10 2.9343240000000003e-10 2.900708e-10 2.862916e-10 2.8197640000000003e-10 2.769474e-10 2.709209e-10 2.6340050000000005e-10 2.5339299999999996e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.435379 1.23828 1.98393 2.66591 3.29927 3.85379 4.31641 4.70562 5.02802 5.2933 5.52218 5.73104 5.92376 6.0991 6.25534 6.39121 6.50536 6.59807 6.67127 6.72728 6.76842 6.79636 6.81227 6.81738 6.81488 6.80654 6.79071 6.76529 6.72748 6.67382 6.60021 6.49958 6.3701 6.20542 5.99257 5.7156 5.34991 4.8593 4.18894 3.22951 1.70132 -1.36593 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.97554060734286e-20 1.98394328234952e-19 3.17860628949162e-19 4.2712587103469394e-19 5.286013303257179e-19 6.174452290342859e-19 6.91565124476394e-19 7.539234412483079e-19 8.055776159284679e-19 8.4808015767522e-19 8.84750776474212e-19 9.182138376519359e-19 9.49090985742384e-19 9.7718355084294e-19 1.002215958572556e-18 1.0239847324987139e-18 1.0422735787758238e-18 1.057127358349638e-18 1.0688552913105179e-18 1.077829082637552e-18 1.0844204373098278e-18 1.0888969188252238e-18 1.0914459818499179e-18 1.0922646941098919e-18 1.0918641499513919e-18 1.0905279346386359e-18 1.0879916890270138e-18 1.083918956023386e-18 1.077861126170232e-18 1.069263846352188e-18 1.0574702241493138e-18 1.041347520681372e-18 1.0206025376243398e-18 9.94217892815628e-19 9.60115563160938e-19 9.1574007692904e-19 8.57150079600294e-19 7.7854569175962e-19 6.711421789227959e-19 5.174245461269339e-19 2.7258151509568795e-19 -2.18846112967962e-19 ] } }