{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0768815999999999 2.6874066999999995 -1.7752876999999991 ] [ 0.5586715999999999 3.1361913999999995 -0.2852584999999999 ] [ 0.6409931999999999 -1.1668488999999997 -1.5544315999999994 ] [ -0.44212599999999996 -1.2570956999999998 -0.04788479999999998 ] [ -1.3899730999999997 4.286281399999999 2.245267899999999 ] [ 0.5045744999999999 -2.0562007999999996 1.8598119999999991 ] [ -0.5750946999999998 -1.5018328999999997 1.0883228999999996 ] [ 1.7798360999999998 -4.127900999999999 -1.5305401999999992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.725354522889697e-09 4.305700185321278e-09 -2.844324448133803e-09 ] [ 8.950905762249292e-10 5.02473253943402e-09 -4.570344995844767e-10 ] [ 1.026984319131779e-09 -1.869498027586197e-09 -2.490473968152736e-09 ] [ -7.083639406478209e-10 -2.01408934064821e-09 -7.671990705168381e-11 ] [ -2.2269824043609e-09 6.867379849249893e-09 3.597315736812711e-09 ] [ 8.084174673518495e-10 -3.294396849430256e-09 2.979747305483288e-09 ] [ -9.214032830859895e-10 -2.406201560728264e-09 1.743685506261256e-09 ] [ 2.851611788275851e-09 -6.613626475176939e-09 -2.452195725634555e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.179804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.636425949312632e-18 } }