{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1251267 0.1480947 -0.4579774 ] [ 1.1353111 0.5708596 -1.0551974 ] [ -0.3760992 1.0337474 0.3276134 ] [ -0.6801912 -1.6423819 0.9652812 ] [ 0.2316371 -0.6035937 -0.0429816 ] [ 0.5364437 1.3883079 -1.9495022 ] [ -0.7219747 -0.8950341 2.212764 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.004750733778554e-10 2.372738660043897e-10 -7.337606831347699e-10 ] [ 1.818968901754731e-09 9.146179048792398e-10 -1.690612604608946e-09 ] [ -6.025773453415834e-10 1.656245916092786e-09 5.248945301407987e-10 ] [ -1.089786438313897e-09 -2.631385882605084e-09 1.546550971137769e-09 ] [ 3.711235461299117e-10 -9.67063714602169e-10 -6.886411464457728e-11 ] [ 8.59477554515449e-10 2.224314459851944e-09 -3.123446847038165e-09 ] [ -1.156730985149094e-09 -1.434002709838769e-09 3.545238748147891e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.368459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.942951556992335e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8817706 1.5218114 3.9508745 ] [ 1.9718072 5.0001103 2.0979112 ] [ 3.3106243 3.3477758 1.0113 ] [ 0.6598255 3.3011777 3.0590979 ] [ 3.8118179 1.7165214 2.615242 ] [ 4.0936987 4.3900309 3.0518878 ] [ 3.3167827 3.1358094 4.8448814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8817706e-10 1.5218114e-10 3.9508745e-10 ] [ 1.9718072e-10 5.000110300000001e-10 2.0979112e-10 ] [ 3.3106243e-10 3.3477758e-10 1.0113e-10 ] [ 6.598255e-11 3.3011777e-10 3.0590979e-10 ] [ 3.8118179e-10 1.7165214e-10 2.615242e-10 ] [ 4.0936987e-10 4.3900309e-10 3.0518878e-10 ] [ 3.3167827e-10 3.1358094e-10 4.8448814e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1432797 0.0254804 0.0576008 ] [ -0.0727962 -0.2516421 -0.0231513 ] [ 0.2226555 0.1049429 -0.0712494 ] [ -0.1401188 0.1827639 0.0563245 ] [ -0.1448354 -0.0149103 -0.000951 ] [ 0.0118203 0.0890457 -0.0367218 ] [ -0.0200052 -0.1356806 0.0181482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.295593855752378e-10 4.082410116863232e-11 9.228665509937664e-11 ] [ -1.16632369723081e-10 -4.031750894290157e-10 -3.709247160112704e-11 ] [ 3.567334365925344e-10 1.681370608989523e-10 -1.141541229260275e-10 ] [ -2.24495065494551e-10 2.928200477062291e-10 9.02417970782496e-11 ] [ -2.320518917442163e-10 -2.388893406911424e-11 -1.5236699663808e-12 ] [ 1.893820831084224e-11 1.426669387227706e-10 -5.883480943369344e-11 ] [ -3.205186373442816e-11 -2.173842852161165e-10 2.907662174960256e-11 ] ] } "relaxed-potential-energy" { "source-value" -21.032702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.369810341665341e-18 } }