{ "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" [ [ 7.333232568737591e-09 -7.425143833854714e-09 2.425021848839816e-09 ] [ -3.495210783163411e-09 4.558044765491562e-09 8.040087899879267e-09 ] [ 8.101421784406083e-09 9.499535898156596e-10 -3.561962588151125e-09 ] [ -4.602219338409611e-09 -4.296307104446516e-10 -3.485171384239816e-09 ] [ 5.003325537168188e-09 9.888637307930841e-10 7.702299080304058e-10 ] [ -1.218813214331955e-08 4.234607282779508e-09 -9.911418657301997e-09 ] [ 7.610600263806852e-09 1.519301311388865e-09 4.165673313234264e-09 ] [ -7.763017729008488e-09 -4.395996135969312e-09 1.557539499491526e-09 ] ] "source-value" [ [ 4.5770438 -4.6344103 1.5135796 ] [ -2.181539 2.8449078 5.0182282 ] [ 5.0565098 0.5929144 -2.2232022 ] [ -2.8724794 -0.2681544 -2.1752729 ] [ 3.1228302 0.6172002 0.4807397 ] [ -7.6072338 2.643034 -6.186221 ] [ 4.7501631 0.9482733 2.6000088 ] [ -4.8452946 -2.743765 0.9721397 ] ] } "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" -5.07102919528632e-18 "source-value" -31.650875 } }