{ "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" [ [ 17.0433588 -18.8470432 8.0957207 ] [ 1.8442842 -4.0798423 3.7238123 ] [ -0.4842928 -3.0678955 1.5607747 ] [ 3.4518136 0.4833649 -6.2177154 ] [ -2.608361 2.5289574 0.2983666 ] [ -10.7694987 17.7464566 -12.522559 ] [ -2.5115408 6.0274125 4.270483 ] [ -5.9657634 -0.7914105 0.7911171 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.730647100926594e-08 -3.019629198624762e-08 1.297077443406661e-08 ] [ 2.954869027350831e-09 -6.536627949610901e-09 5.966205007307477e-09 ] [ -7.759226017817704e-10 -4.915310445157526e-09 2.500636734676134e-09 ] [ 5.530415049279483e-09 7.744359420953299e-10 -9.961878248668122e-09 ] [ -4.179055012806509e-09 4.051836421279154e-09 4.780359909475853e-10 ] [ -1.725463903487599e-08 2.843295786656185e-08 -2.006335126238863e-08 ] [ -4.023931951945329e-09 9.656979391417679e-09 6.842068022123847e-09 ] [ -9.558206644704318e-09 -1.267979400555639e-09 1.267509321935096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5649961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.711753404663179e-19 } }