{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5692029 -2.5608939 3.2177538 ] [ -1.8240319 1.156299 -0.5295568 ] [ 0.4202327 0.3649839 0.9482661 ] [ -2.2077886 0.659695 -3.0062026 ] [ 0.3771553 0.2781488 1.9433452 ] [ -2.6994929 2.7875622 -3.3048638 ] [ 1.5632975 -1.9209738 0.8014783 ] [ 1.8014251 -0.7648212 -0.0702201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.116316854385038e-09 -4.103004368733132e-09 5.155409952324708e-09 ] [ -2.922421289850625e-09 1.852595239717566e-09 -8.484435313358112e-10 ] [ 6.732870127827317e-10 5.847686763661926e-10 1.519289788234307e-09 ] [ -3.537267307731572e-09 1.05694791456663e-09 -4.816467562790048e-09 ] [ 6.042694090492602e-10 4.456435081351391e-10 3.113582271236056e-09 ] [ -4.325064448028899e-09 4.466167022661635e-09 -5.294975558912448e-09 ] [ 2.504678726490615e-09 -3.077739336886189e-09 1.284109804918042e-09 ] [ 2.886201203121113e-09 -1.225378655827841e-09 -1.125050034571434e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.26887207419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.048519640480259e-18 } }