{ "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" [ [ 31.236067 -40.0747251 14.2176621 ] [ 0.2035223 -2.2399457 0.7955809 ] [ 1.4860886 -3.7397765 1.372827 ] [ 5.4128534 1.7952202 -4.8272311 ] [ -4.3111605 -1.3875643 2.5965386 ] [ -24.7749414 35.2814164 -13.5238672 ] [ -6.0913267 6.5527313 2.5200505 ] [ -3.1611027 3.8126437 -3.1515607 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.004569668545847e-08 -6.420678816919331e-08 2.277920600672737e-08 ] [ 3.260786735579382e-10 -3.588788661968773e-09 1.274661128436691e-09 ] [ 2.380976430973772e-09 -5.991782524682301e-09 2.199511341924318e-09 ] [ 8.672347240747456e-09 2.876259857324806e-09 -7.734076875338116e-09 ] [ -6.907240618523756e-09 -2.223123099632566e-09 4.160113474199072e-09 ] [ -3.969383221979924e-08 5.652706097050438e-08 -2.1667624029159e-08 ] [ -9.759381308800326e-09 1.049863297774044e-08 4.037566027600017e-09 ] [ -5.064644883614311e-09 6.108528649907305e-09 -5.049356914172683e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3586268 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.339199655128619e-18 } }