{ "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" [ [ 0.36788390000000004 -0.08273120000000002 -0.6207119000000001 ] [ -1.6112762000000005 -0.8234557000000002 1.0060380000000002 ] [ 0.5135947000000001 -1.4287286000000001 -0.14121430000000001 ] [ -1.1359566000000003 -0.9881269000000003 1.8072800000000004 ] [ 0.6976335000000001 1.1243484000000001 -1.4057359000000003 ] [ -0.03144960000000001 1.1937683000000001 1.7308614000000004 ] [ 1.4474791000000002 0.6420564000000001 -1.0516810000000003 ] [ -0.24790890000000004 0.36286930000000006 -1.3248364000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.894149837487252e-10 -1.32549994450729e-10 -9.944900944323478e-10 ] [ -2.581549057291466e-09 -1.319321470804499e-09 1.611850563236391e-09 ] [ 8.228694209067899e-10 -2.289075560388315e-09 -2.262502499826374e-10 ] [ -1.820003106763458e-09 -1.58315381756358e-09 2.895581763239425e-09 ] [ 1.117732083586877e-09 1.801404720113887e-09 -2.252237193999247e-09 ] [ -5.038781385351169e-11 1.912627660912161e-09 2.773145668925158e-09 ] [ 2.319117173116626e-09 1.028687753315013e-09 -1.684978710739565e-09 ] [ -3.971938436682452e-10 5.813807088660615e-10 -2.122621906464838e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.43154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.836976164774003e-18 } }