{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.28891560000000005 0.04035190000000001 -0.6767894000000001 ] [ -1.5020771000000004 -0.6293941000000001 0.6678614000000002 ] [ 0.27996200000000004 -1.3867283000000001 -0.2903044000000001 ] [ -1.1625226000000002 -1.0224776000000002 1.7920459000000004 ] [ 0.7117488000000001 1.1338243000000001 -1.3262060000000002 ] [ 0.16413880000000003 1.0947061000000002 1.8623985000000005 ] [ 1.2766785000000003 0.44724550000000013 -0.8221192000000003 ] [ -0.05684420000000001 0.32247230000000005 -1.2068868000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.628938197044046e-10 6.465087078485953e-11 -1.08433615388526e-09 ] [ -2.406592812259065e-09 -1.008400512289457e-09 1.070031921014757e-09 ] [ 4.485485711124097e-10 -2.221783661661729e-09 -4.651189225953717e-10 ] [ -1.86256653087163e-09 -1.638189706011694e-09 2.871174044380495e-09 ] [ 1.140347287242455e-09 1.816586785554926e-09 -2.124816247564685e-09 ] [ 2.629793479261671e-10 1.753912520067147e-09 2.98389133531299e-09 ] [ 2.045464444978013e-09 7.165662838580067e-10 -1.3171801617508e-09 ] [ -9.107444826807939e-11 5.166575799156039e-10 -1.933645814912126e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.187977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.797953070344812e-18 } }