{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7899968 -1.0538288 5.3053683 ] [ -2.2326653 3.6198913 -4.9795845 ] [ -1.7061425 -0.533756 -1.2429018 ] [ 2.5368551 -0.2884093 1.1678269 ] [ 4.2632492 -3.5594825 1.9487987 ] [ -2.2241034 3.2641186 -2.0016892 ] [ -5.3892897 -6.0683591 -4.3851956 ] [ 3.9620998 4.6198258 4.1873771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265714413894771e-09 -1.688419879596259e-09 8.5001371250243e-09 ] [ -3.5771241752026e-09 5.799705258479884e-09 -7.978173932928572e-09 ] [ -2.733541647774344e-09 -8.55171391457304e-10 -1.991348222316541e-09 ] [ 4.064489965063733e-09 -4.620826414882961e-10 1.871064971736654e-09 ] [ 6.830478253159192e-09 -5.702919690631905e-09 3.122319741509576e-09 ] [ -3.563406499079955e-09 5.229694551524792e-09 -3.207059664770153e-09 ] [ -8.634594031196869e-09 -9.72258315674127e-09 -7.02585792583961e-09 ] [ 6.347983721136072e-09 7.401776949910357e-09 6.708917747366681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.349307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.663583370349264e-18 } }