{ "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" [ [ 40.5886348 -48.1591164 12.0814442 ] [ -0.4678367 -4.3532697 -0.3812584 ] [ 0.123025 -6.4307153 3.6058808 ] [ 8.3958477 -1.4701083 1.0540274 ] [ -2.3143741 2.240689 3.7588401 ] [ -30.4488278 35.6795926 -14.3116565 ] [ -8.8030419 16.7786651 2.9134634 ] [ -7.073427 5.7142629 -8.7207409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.503016228251926e-08 -7.715941101016619e-08 1.935660760221482e-08 ] [ -7.495570292676677e-10 -6.974706994840189e-09 -6.108432999962255e-10 ] [ 1.9710778039785e-10 -1.03031417935663e-08 5.777257962749227e-09 ] [ 1.345163100756264e-08 -2.355373167709462e-09 1.688738071875772e-09 ] [ -3.708036105354779e-09 3.589979559860826e-09 6.022325779162223e-09 ] [ -4.878440043384962e-08 5.71650095743593e-08 -2.292980163813422e-08 ] [ -1.410402804030296e-08 2.688238517293127e-08 4.667882983494196e-09 ] [ -1.133287946170472e-08 9.155258498913076e-09 -1.397216730114813e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.2668222 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.274962942724748e-20 } }