{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0497063 -1.8539948 0.8080847 ] [ 0.9791443 -1.0356998 0.2035245 ] [ -2.2094797 -1.8384963 1.4653871 ] [ 0.8621734 -0.6100109 2.647724 ] [ -0.3817575 0.7800847 -1.4775504 ] [ 1.7239723 1.8324497 -2.1358181 ] [ -2.5772208 1.0171096 -1.5044217 ] [ 1.6528744 1.7085578 -0.00693 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.963827242259419e-11 -2.970427148117503e-09 1.2946944246329e-09 ] [ 1.568762118774286e-09 -1.659374019398473e-09 3.26082198346533e-10 ] [ -3.539976748637329e-09 -2.945595813555454e-09 2.347808971385021e-09 ] [ 1.381354075936336e-09 -9.773452104653105e-10 4.242121526081015e-09 ] [ -6.11642946354255e-10 1.249833478880899e-09 -2.367296726437353e-09 ] [ 2.762108136723238e-09 2.935908092320309e-09 -3.421957854294275e-09 ] [ -4.129162946418787e-09 1.629589235337086e-09 -2.410349295422557e-09 ] [ 2.648196742616769e-09 2.737411384998445e-09 -1.110308407362e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -0.22468660156248177 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.599876229962762e-20 } }