{ "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" [ [ 0.35397510000000004 -0.024612200000000008 -0.7208398000000001 ] [ -1.4283254000000003 -0.5116435000000001 0.7744008000000002 ] [ 0.40078780000000014 -1.2831987000000002 -0.32105180000000005 ] [ -0.9158365000000003 -0.6496053000000002 1.6388017000000004 ] [ 0.5385404000000001 0.8202538000000003 -1.0946294000000003 ] [ -0.06976590000000002 1.1513736000000003 1.8042807000000005 ] [ 1.3187085000000003 0.26658050000000005 -1.0280601000000003 ] [ -0.19808390000000006 0.23085160000000005 -1.0529021000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.671306342378135e-10 -3.943309175133481e-11 -1.154912684417233e-09 ] [ -2.288429581628704e-09 -8.197432606379791e-10 1.240726867110908e-09 ] [ 6.421328483522653e-10 -2.055910973919176e-09 -5.143816922636412e-10 ] [ -1.467331840864341e-09 -1.04078243298256e-09 2.625649791499478e-09 ] [ 8.628368453450137e-10 1.314191472309709e-09 -1.75378964756944e-09 ] [ -1.117772948299806e-10 1.844703878924463e-09 2.890776378717164e-09 ] [ 2.112803945757189e-09 4.271090481800371e-10 -1.647133870567704e-09 ] [ -3.173653961515927e-10 3.698650394415144e-10 -1.686935142509532e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.22614729230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.6438510097571e-18 } }