{ "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" [ 5.21631 0 0 ] "si-unit" "m" "si-value" [ 5.21631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.340777 5.491 0 ] "si-unit" "m" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0764414 0.261433 5.31631 ] "si-unit" "m" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1456.4680707 -1885.6764069 393.2640135 ] [ -2.7768629 -1.7933781 -2.6370993 ] [ 11.3376493 -15.7655051 12.8380516 ] [ 3.1566742 -2.5510062 -0.0545109 ] [ 0.3749668 -0.6904319 1.9526122 ] [ -1399.9819757 1837.0015058 -392.6500898 ] [ -55.8221426 55.1944047 4.7694999 ] [ -12.7563798 14.2808177 -17.4824773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.333519091817222e-06 -3.021186653529328e-06 6.300784082316756e-07 ] [ -4.449024817546888e-09 -2.873308464074724e-09 -4.225098845188045e-09 ] [ 1.816491664328949e-08 -2.525912368632317e-08 2.056882613014403e-08 ] [ 5.057549602722543e-09 -4.087162493155848e-09 -8.733608955876672e-11 ] [ 6.007630405361895e-10 -1.106193848434524e-09 3.128429616328853e-09 ] [ -2.243018391007934e-06 2.943200864967156e-06 -6.290947940325806e-07 ] [ -8.943693179668373e-08 8.843118480931364e-08 7.641581232687938e-09 ] [ -2.043797348160538e-08 2.288039224484683e-08 -2.801001640372671e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 221.96441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.556261883516657e-17 } }