{ "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" [ 5.55154 0 0 ] "si-unit" "m" "si-value" [ 5.55154e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.061684 5.43974 0 ] "si-unit" "m" "si-value" [ 6.1684e-12 5.43974e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.265567 0.0876051 5.42724 ] "si-unit" "m" "si-value" [ 2.65567e-11 8.760510000000001e-12 5.427240000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0647023 0.102264 0.485367 ] [ 1.35693 1.92881 1.38138 ] [ 0.0777781 2.73495 2.46621 ] [ 1.63547 4.09153 3.75722 ] [ 2.82757 -0.0639025 2.36092 ] [ 4.37612 1.31575 3.25969 ] [ 2.62065 2.47384 -0.106223 ] [ 4.18903 3.98589 0.601522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.470230000000001e-12 1.02264e-11 4.85367e-11 ] [ 1.35693e-10 1.92881e-10 1.38138e-10 ] [ 7.77781e-12 2.73495e-10 2.46621e-10 ] [ 1.63547e-10 4.09153e-10 3.75722e-10 ] [ 2.82757e-10 -6.390250000000001e-12 2.36092e-10 ] [ 4.37612e-10 1.31575e-10 3.25969e-10 ] [ 2.62065e-10 2.47384e-10 -1.06223e-11 ] [ 4.18903e-10 3.98589e-10 6.01522e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1988457999999995 1.7952982999999998 -4.741850799999999 ] [ 0.9361154999999999 -8.115900399999997 0.8341569999999999 ] [ -2.2246543999999995 5.656390799999999 -0.09986549999999998 ] [ -0.9720327999999999 -0.04565009999999999 1.0829616999999998 ] [ -0.8454323999999999 0.5209303999999999 -1.9490615999999998 ] [ -1.7206827999999998 -0.6129682999999999 4.468188699999999 ] [ 2.4180246999999997 1.5425507999999999 -5.759074199999999 ] [ -0.7901835999999999 -0.7406513999999998 6.1645446999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.125115996529035e-09 2.876384987319922e-09 -7.597282553674206e-09 ] [ 1.499822380825227e-09 -1.300310598475125e-08 1.336466854487538e-09 ] [ -3.564289298405289e-09 9.062537172532564e-09 -1.60002170642727e-10 ] [ -1.557368239641595e-09 -7.313952355976338e-11 1.735095931256917e-09 ] [ -1.354532036906541e-09 8.346225148202734e-10 -3.122740953746654e-09 ] [ -2.756837776685695e-09 -9.82083487642702e-10 7.158827531442834e-09 ] [ 3.874102674774859e-09 2.471438848518007e-09 -9.22705411671224e-09 ] [ -1.266013700490002e-09 -1.186654367019387e-09 9.876689477588539e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.056094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.17464649801076e-18 } }