{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "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" [ [ 3.018000345763226e-08 -3.613535451942213e-08 1.403717518198799e-08 ] [ -4.38743891063762e-09 6.107044503376562e-09 1.765676037274151e-08 ] [ 1.212840924738494e-08 2.482216990719783e-09 -4.306495986448831e-09 ] [ -1.528720732047275e-08 5.569483325089381e-09 -5.723285711762036e-09 ] [ 7.516806280942627e-09 4.612955203510269e-09 -8.168905784109503e-11 ] [ -4.157375928906931e-08 2.518988338060803e-08 -3.185575651495393e-08 ] [ 2.121532506471525e-08 -1.277864029217664e-10 6.338985524498618e-09 ] [ -9.792138210060058e-09 -7.69844232074247e-09 3.934306351995439e-09 ] ] "source-value" [ [ 18.8368767 -22.5539145 8.7613157 ] [ -2.738424 3.8117174 11.0204831 ] [ 7.5699577 1.549278 -2.6879034 ] [ -9.5415244 3.4761981 -3.572194 ] [ 4.6916215 2.8791802 -0.0509863 ] [ -25.9482998 15.7222887 -19.8827995 ] [ 13.2415645 -0.079758 3.9564836 ] [ -6.111772 -4.8049898 2.4556009 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.923805526205054e-18 "source-value" -24.490468 } }