{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5794779 9.528037 0.6230947 ] [ 0.9488502 -0.6996909 7.9346628 ] [ 9.6126568 -1.2511263 1.6961278 ] [ -6.6316052 -17.1310118 5.375737 ] [ 6.7153635 9.1784392 -15.5175887 ] [ -8.4754656 -2.8227647 3.2812232 ] [ 0.4096781 3.1981175 -3.3932567 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.132779185250281e-09 1.526559812351737e-08 9.983077608843899e-10 ] [ 1.520225607081404e-09 -1.121028401766511e-09 1.271273123209147e-08 ] [ 1.540117398873414e-08 -2.004525307528007e-09 2.717496307048938e-09 ] [ -1.062500280981571e-08 -2.744690659660892e-08 8.61288014096953e-09 ] [ 1.075919839987366e-08 1.470548070167425e-08 -2.486191782633026e-08 ] [ -1.357919283471464e-08 -4.522567608359526e-09 5.257099098666562e-09 ] [ 6.563766738737645e-10 5.123949089071344e-09 -5.436596553112959e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.805614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736691764418917e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9014303 1.4543075 2.6607239 ] [ 2.5166157 2.9642777 1.0997271 ] [ 1.0040104 2.5786375 2.6827682 ] [ 2.0857265 2.1688449 4.5813661 ] [ 2.8611271 3.6680173 3.1614915 ] [ 4.5331736 2.7928268 2.0199526 ] [ 4.2668695 2.3012212 4.1717242 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9014303e-10 1.4543075e-10 2.6607239e-10 ] [ 2.5166157e-10 2.9642777e-10 1.0997271e-10 ] [ 1.0040104e-10 2.5786375e-10 2.6827682e-10 ] [ 2.0857265e-10 2.1688449e-10 4.5813661e-10 ] [ 2.8611271e-10 3.6680173e-10 3.1614915e-10 ] [ 4.5331736e-10 2.7928268e-10 2.0199526e-10 ] [ 4.266869500000001e-10 2.3012212e-10 4.1717242e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.52e-05 -1.34e-05 1.07e-05 ] [ 3.57e-05 3.49e-05 2.89e-05 ] [ 1e-05 8e-07 1.44e-05 ] [ 1.42e-05 3e-05 -3e-07 ] [ 5.74e-05 -9.27e-05 -4.4e-06 ] [ -7.63e-05 -3.5e-06 3.5e-05 ] [ -9.63e-05 4.4e-05 -8.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.844014946816001e-14 -2.146916671872e-14 1.714328984256e-14 ] [ 5.719770536256001e-14 5.591596406592e-14 4.630290434112001e-14 ] [ 1.6021766208e-14 1.28174129664e-15 2.307134333952e-14 ] [ 2.275090801536e-14 4.8065298624e-14 -4.8065298624e-16 ] [ 9.196493803392e-14 -1.4852177274816e-13 -7.04957713152e-15 ] [ -1.2224607616704e-13 -5.6076181728e-15 5.6076181728e-14 ] [ -1.5428960858304e-13 7.04957713152e-14 -1.3506348913344e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }