{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9586112 2.6341221 4.8258142 ] [ 1.8654996 3.0127366 -1.1416602 ] [ 7.8838075 2.4638467 2.7004121 ] [ -7.6024711 0.2286673 -20.9801538 ] [ -6.0819669 8.0731124 -3.4174954 ] [ -4.0150316 -1.5820976 5.2261592 ] [ 5.9915513 -14.8303875 12.786924 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.138041073877033e-09 4.2203288449526e-09 7.731806687564655e-09 ] [ 2.988859845231752e-09 4.826936145148482e-09 -1.829141281337852e-09 ] [ 1.26312520593877e-08 3.947517579975231e-09 4.326537133145432e-09 ] [ -1.218050145672766e-08 3.663654020014598e-10 -3.361391191914828e-08 ] [ -9.744385175659453e-09 1.293455194437058e-08 -5.475431231571545e-09 ] [ -6.432789761293218e-09 -2.53479978654379e-09 8.373230086818831e-09 ] [ 9.599523415183847e-09 -2.376090012990456e-08 2.048691068474642e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -36.538007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.854034058602675e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6678882 1.9636945 1.3238885 ] [ 0.6127109 2.6700775 1.7322401 ] [ 1.8843788 1.957553 3.3949543 ] [ 2.3445612 3.876807 2.3909855 ] [ 3.9344583 1.2538665 2.9846891 ] [ 4.3937501 3.1693989 1.9826726 ] [ 3.6117523 3.1632717 4.049724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6678882e-10 1.9636945e-10 1.3238885e-10 ] [ 6.127109e-11 2.6700775e-10 1.7322401e-10 ] [ 1.8843788e-10 1.957553e-10 3.3949543e-10 ] [ 2.3445612e-10 3.876807e-10 2.3909855e-10 ] [ 3.934458300000001e-10 1.2538665e-10 2.9846891e-10 ] [ 4.3937501e-10 3.1693989e-10 1.9826726e-10 ] [ 3.6117523e-10 3.1632717e-10 4.049724e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001787 8.33e-05 4.04e-05 ] [ 9.48e-05 -0.0001215 -0.0001602 ] [ 2.26e-05 2.24e-05 -4.53e-05 ] [ 0.0001782 -9.61e-05 0.0001763 ] [ -8.26e-05 8.03e-05 9.17e-05 ] [ -0.0001438 3.76e-05 1.95e-05 ] [ 0.0001094 -6e-06 -0.0001224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8630896213696e-13 1.3346131251264e-13 6.472793548032e-14 ] [ 1.5188634365184e-13 -1.946644594272e-13 -2.5666869465216e-13 ] [ 3.620919163008e-14 3.588875630592e-14 -7.257860092224001e-14 ] [ 2.8550787382656e-13 -1.5396917325888e-13 2.8246373824704e-13 ] [ -1.3233978887808e-13 1.2865478265024e-13 1.4691959612736e-13 ] [ -2.3039299807104e-13 6.024184094208e-14 3.12424441056e-14 ] [ 1.7527812231552e-13 -9.6130597248e-15 -1.9610641838592e-13 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }