{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] "source-value" [ 5.4 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] "source-value" [ 0.386566 5.8038 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] "source-value" [ -0.433064 -0.220286 5.20849 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.001061241456176e-09 -5.132189403867443e-09 1.216356661006346e-08 ] [ 1.116449541201927e-09 -5.530636149653154e-09 -1.252590878635243e-08 ] [ 2.193460383359226e-09 -1.206555377572135e-08 2.557394402229791e-08 ] [ 1.644524375913247e-08 6.777941383529312e-09 1.251693643705829e-08 ] [ 3.62359127317617e-09 -1.635202223397486e-08 6.371317448706364e-09 ] [ 3.700194862205184e-11 -2.208074797623516e-09 -1.672967529070518e-08 ] [ -3.482527792815496e-09 2.937494383204228e-09 -1.378930339828999e-08 ] [ -2.193428019391486e-08 3.157304043388911e-08 -1.358087688256077e-08 ] ] "source-value" [ [ 1.2489642000000003 -3.203260700000001 7.5919012000000015 ] [ 0.6968330000000001 -3.451951600000001 -7.818057400000002 ] [ 1.3690503000000003 -7.530726400000002 15.962000500000004 ] [ 10.264313900000001 4.2304583000000004 7.812457300000002 ] [ 2.2616678000000006 -10.206129600000002 3.976663600000001 ] [ 0.023094800000000002 -1.3781719000000001 -10.441842100000002 ] [ -2.1736229000000002 1.8334398000000005 -8.606606300000001 ] [ -13.690301000000003 19.706342000000003 -8.476516700000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.7630968171595e-18 "source-value" -17.245894 } }