{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.773738 -0.2748894 -3.7569429 ] [ 0.4790927 0.6573332 1.9369991 ] [ -0.4600403 0.8454142 0.4068561 ] [ 0.0189878 -0.7702327 1.289908 ] [ -1.3157163 0.3809877 1.5499596 ] [ 0.7305242 0.6585474 0.842589 ] [ -0.2422298 2.1954547 -2.355922 ] [ 0.0156436 -3.6926151 0.0865532 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.23966493422455e-09 -4.404213699857396e-10 -6.019286080060553e-09 ] [ 7.675911231359482e-10 1.053163885115651e-09 3.103414672530641e-09 ] [ -7.370658132858183e-10 1.354502866132335e-09 6.518553314498668e-10 ] [ 3.042180924042624e-11 -1.23404882451566e-09 2.066660440582887e-09 ] [ -2.108009895465479e-09 6.104095857523642e-10 2.48330903430452e-09 ] [ 1.170428794168623e-09 1.055109247968626e-09 1.349976396743251e-09 ] [ -3.880949224210599e-10 3.517506192365478e-09 -3.774603148828378e-09 ] [ 2.506381018514688e-11 -5.916221582833054e-09 1.386735134954265e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.309025 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.336694111664272e-18 } }