{ "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" [ [ 0.40633760000000013 -0.026142000000000006 -0.6310997000000002 ] [ -1.8608732000000003 -0.8257704000000002 1.1776023000000002 ] [ 0.6234378000000002 -1.5631488000000004 -0.3837538000000001 ] [ -1.2949579000000002 -0.9372759000000003 2.1506435000000006 ] [ 0.7031019000000001 1.1859848000000002 -1.6584990000000004 ] [ 0.027201900000000008 1.2865298000000003 2.0853316000000004 ] [ 1.8034489000000005 0.5618308000000001 -1.3604629000000001 ] [ -0.4076970000000001 0.31799180000000005 -1.3797619000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.510246028719823e-10 -4.188410122095361e-11 -1.011133184733894e-09 ] [ -2.981447535313283e-09 -1.323030029028665e-09 1.886726873660308e-09 ] [ 9.988574676829866e-10 -2.504440462191576e-09 -6.148413665031592e-10 ] [ -2.074751272300265e-09 -1.501681534219279e-09 3.445710735375486e-09 ] [ 1.12649342622006e-09 1.900157119184164e-09 -2.65720832342018e-09 ] [ 4.358224822133954e-11 2.061247967522501e-09 3.341069536135458e-09 ] [ 2.889443664387478e-09 9.001521726053608e-10 -2.179701851845768e-09 ] [ -6.532026017702977e-10 5.094790275661096e-10 -2.210622258450588e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.462315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.841906863324515e-18 } }