{ "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" [ [ 14.9694435 -12.4288576 1.8671066 ] [ 3.8358664 -8.2647155 8.1912446 ] [ 1.5172232 -8.1211927 3.1425448 ] [ 4.2184874 3.2606908 -2.3783757 ] [ -5.7548464 5.3308953 -0.5325685 ] [ -10.0212978 12.8300683 -7.087062 ] [ -0.4701563 7.136005 -2.1309046 ] [ -8.29472 0.2571064 -1.0719852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.398369259968318e-08 -1.991322523403332e-08 2.991434567707184e-09 ] [ 6.145735517225696e-09 -1.324153406075763e-08 1.312382070149867e-08 ] [ 2.430859559602709e-09 -1.301158518415137e-08 5.034911849858203e-09 ] [ 6.758761943103411e-09 5.224202610458767e-09 -3.810577973413393e-09 ] [ -9.220280434339016e-09 8.54103588796042e-09 -8.53268806704429e-10 ] [ -1.60558891775156e-08 2.05560356428841e-08 -1.135472514010931e-08 ] [ -7.532734381878942e-10 1.143314047110717e-08 -3.414085559403116e-09 ] [ -1.328960656957248e-08 4.119298665318576e-10 -1.717509639433817e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -314.84294 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.044340018478639e-17 } }