{ "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" [ [ -0.3547585999999999 1.5515582999999997 -0.9805906999999996 ] [ 0.40261739999999996 2.0763074999999995 -0.17947919999999992 ] [ 0.29795369999999993 -0.7975910999999999 -1.0501682999999995 ] [ -0.34363419999999995 -0.9113115999999999 -0.29086099999999987 ] [ -6.851098599999999 7.608711699999999 7.672470299999996 ] [ 0.10011319999999999 -1.1711944999999997 1.4246725999999994 ] [ -0.05868029999999999 -0.7828128999999999 0.40842239999999985 ] [ 6.807487299999999 -7.573667499999999 -7.004466099999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.683859349477388e-10 2.485870434068192e-09 -1.571079494113906e-09 ] [ 6.450641854072819e-10 3.326611334091696e-09 -2.875573781598873e-10 ] [ 4.773744522208568e-10 -1.277881813378155e-09 -1.68255509816528e-09 ] [ -5.505626813473112e-10 -1.460082139783841e-09 -4.660106941025086e-10 ] [ -1.097667000371561e-08 1.219050000014742e-08 1.229265253844236e-08 ] [ 1.603990284734746e-10 -1.876460446309545e-09 2.282577132014349e-09 ] [ -9.401620476153023e-11 -1.254204526840648e-09 6.543648206910257e-10 ] [ 1.090679699845292e-08 -1.213435300221278e-08 -1.122239182660615e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -34.11983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.466599393167047e-18 } }