{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43103e-10 0.0 0.0 ] "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] "source-value" [ -0.0279747 -0.147199 5.47761 ] } "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" [ [ 1.53857870049033e-09 2.682346474600532e-10 -3.868758102085269e-09 ] [ 1.302897398047016e-09 3.027316249790166e-09 -8.058749732723021e-10 ] [ 1.44044153724244e-09 -2.466957860583284e-10 1.164467415397951e-09 ] [ 1.360795735245852e-09 -1.93140469025495e-10 9.81655698393767e-10 ] [ 8.448484002262482e-10 -9.137088298645979e-10 3.473842072918816e-09 ] [ -8.10671249204329e-10 -2.67721165874853e-09 -1.646177998425341e-09 ] [ -3.701938831456925e-09 8.134963672397857e-10 -5.255432514545606e-10 ] [ -1.974951850808295e-09 -7.8290360575392e-11 1.226389138526939e-09 ] ] "source-value" [ [ 0.9603053 0.1674189 -2.4146889 ] [ 0.8132046 1.8895022 -0.5029876 ] [ 0.8990529 -0.1539754 0.7268034 ] [ 0.8493419 -0.1205488 0.6127013 ] [ 0.5273129 -0.5702922 2.1682017 ] [ -0.5059812 -1.6709841 -1.0274635 ] [ -2.3105685 0.5077445 -0.3280183 ] [ -1.232668 -0.048865 0.7654519 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.7332318640063e-18 "source-value" -35.784019 } }