{ "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" [ [ 16.2673494 -18.5277955 8.6548116 ] [ 1.0359328 -2.7147328 1.1905521 ] [ -0.5101324 -2.3276407 1.387517 ] [ 3.1922608 -0.0238208 -4.7615401 ] [ -1.5542411 1.6726386 1.1594813 ] [ -11.2351632 16.1646017 -10.8519687 ] [ -2.8359283 5.3196002 4.2421813 ] [ -4.360078 0.4371492 -1.0210345 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.606316689106491e-08 -2.968480078506344e-08 1.386653680294864e-08 ] [ 1.659747312879882e-09 -4.349481423878923e-09 1.907474740464343e-09 ] [ -8.17322204792594e-10 -3.729291511162546e-09 2.223047298362553e-09 ] [ 5.114565621256305e-09 -3.816512884875264e-11 -7.628828227221695e-09 ] [ -2.490168753506475e-09 2.679862459967643e-09 1.857693831114791e-09 ] [ -1.800071580991251e-08 2.589854692828393e-08 -1.738677054079337e-08 ] [ -4.543658020525088e-09 8.522939072443004e-09 6.796723700054952e-09 ] [ -6.985615036464422e-09 7.003902280414234e-10 -1.635877604930218e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.193372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.633158230551734e-18 } }