{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44714e-10 0.0 0.0 ] "source-value" [ 5.44714 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] "source-value" [ 0.103058 5.37075 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] "source-value" [ 0.0454409 0.00880856 5.43207 ] } "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" [ [ 3.920370779965383e-10 7.272155032470102e-09 1.167062621088323e-09 ] [ 1.835386085152745e-09 -7.457677472099017e-09 -8.346646932544179e-09 ] [ -2.056476525328095e-09 5.61523844524385e-09 8.183750431154203e-09 ] [ 1.47156686223706e-09 -7.193741945165556e-09 3.85008970031737e-10 ] [ -1.078218242458735e-09 2.436177644432784e-09 4.851902222559759e-09 ] [ -3.847410861007392e-10 -1.963522243230831e-09 4.310057785294531e-09 ] [ 5.284555278981889e-10 3.527202405056897e-09 -5.119697873625714e-09 ] [ -7.08009859614624e-10 -2.235831866708227e-09 -5.431437223958659e-09 ] ] "source-value" [ [ 0.24469030000000005 4.538922200000001 0.7284232000000002 ] [ 1.1455579000000002 -4.654716200000001 -5.209567300000001 ] [ -1.2835517000000003 3.504756200000001 5.107895300000001 ] [ 0.9184798000000002 -4.489980600000001 0.24030370000000006 ] [ -0.6729709000000001 1.5205425000000004 3.0283192000000008 ] [ -0.24013650000000006 -1.2255342000000002 2.6901265000000003 ] [ 0.3298360000000001 2.2015066000000005 -3.195464100000001 ] [ -0.4419050000000001 -1.3954965000000001 -3.390036500000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.021080057391584e-18 "source-value" -31.339117 } }