{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1133228 1.2165617 -2.5640956 ] [ -1.6722383 -1.6108371 0.6043643 ] [ 0.0847494 0.1509592 0.4739283 ] [ 0.153035 0.6736674 0.5654552 ] [ -0.0971656 -0.5393317 1.088269 ] [ 0.0204687 -0.408729 1.6590131 ] [ 0.8388532 0.8035824 -2.7567659 ] [ -0.4410251 -0.2858729 0.9298317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.783739761563594e-09 1.949146713500703e-09 -4.108134023816149e-09 ] [ -2.679221108666337e-09 -2.580845541537272e-09 9.682983519061574e-10 ] [ 1.357835073068275e-10 2.418633009346713e-10 7.593168421954886e-10 ] [ 2.45189099164128e-10 1.079334158475122e-09 9.059591015497883e-10 ] [ -1.556764526660045e-10 -8.641046405963193e-10 1.743599148941395e-09 ] [ 3.279447259816896e-11 -6.548560480429632e-10 2.658032002420932e-09 ] [ 1.343990985323266e-09 1.287480934166354e-09 -4.416825873998671e-09 ] [ -7.066001044059821e-10 -4.580188769002963e-10 1.489754611018719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.089601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.782191497620031e-18 } }