{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.848654 -0.3180504 0.3468937 ] [ 0.5891791 -0.543184 -0.4450395 ] [ -0.1223483 -0.0962772 1.5187654 ] [ -1.1736185 -1.3300037 1.397243 ] [ 1.1159683 1.7635099 -0.3287578 ] [ -0.6593657 0.4045244 -0.2079573 ] [ 0.2815972 -0.3354021 -1.1688177 ] [ 0.817242 0.4548831 -1.1123299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.359693597948403e-09 -5.095729151160884e-10 5.557849760428091e-10 ] [ 9.439689794839853e-10 -8.702767055926273e-10 -7.130318822325216e-10 ] [ -1.960235858546246e-10 -1.542530789560857e-10 2.43333041635996e-09 ] [ -1.880344122438365e-09 -2.130900833717497e-09 2.238630068176455e-09 ] [ 1.787978319813921e-09 2.825454332329346e-09 -5.267280610656422e-10 ] [ -1.056420309097427e-09 6.481195362231476e-10 -3.331843241846919e-10 ] [ 4.511684503227418e-10 -5.373734031872237e-10 -1.872652392917228e-09 ] [ 1.309366025935834e-09 7.288030680170285e-10 -1.782148960396802e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.382333 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.829092334276033e-18 } }