{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2775384 -1.3896202 -2.7203144 ] [ -3.5320722 -0.8266116 2.4199272 ] [ -3.5550342 -13.8008655 -15.7983806 ] [ 1.1819217 -4.5934878 10.7055469 ] [ 0.7773146 18.5294167 -0.9900956 ] [ 3.8503316 2.0811685 6.3833164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.046842156654239e-09 -2.22641699623142e-09 -4.358424132905579e-09 ] [ -5.659003501817623e-09 -1.324377780002081e-09 3.877150783878006e-09 ] [ -5.695792681384432e-09 -2.21114240509053e-08 -2.531179604382028e-08 ] [ 1.893647315356191e-09 -7.359578761090027e-09 1.715217695605792e-08 ] [ 1.245395279126504e-09 2.968739823380109e-08 -1.586308022676949e-09 ] [ 6.168911271847458e-09 3.334399514645405e-09 1.022720029924922e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.042203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.730461921352762e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8110672 0.5227934 0.960283 ] [ 0.7612351 1.6648595 2.999723 ] [ 3.0098393 0.9833316 0.4266245 ] [ 2.539525 0.1275658 2.5639547 ] [ 1.621594 2.7696152 1.0619825 ] [ 2.9477483 2.4062134 2.9674947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.110672e-11 5.227934e-11 9.60283e-11 ] [ 7.612351000000001e-11 1.6648595e-10 2.999723e-10 ] [ 3.0098393e-10 9.833316e-11 4.266245e-11 ] [ 2.539525e-10 1.275658e-11 2.5639547e-10 ] [ 1.621594e-10 2.7696152e-10 1.0619825e-10 ] [ 2.9477483e-10 2.4062134e-10 2.9674947e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-05 -1.33e-05 2.22e-05 ] [ -1.74e-05 5.91e-05 -2.63e-05 ] [ 1.33e-05 -1.4e-05 -5.11e-05 ] [ 1.47e-05 -5.6e-05 1.15e-05 ] [ -3.67e-05 2.73e-05 2.92e-05 ] [ -6.9e-06 -3e-06 1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28718284864e-14 -2.130894905664e-14 3.556832098176e-14 ] [ -2.787787320192e-14 9.468863828927999e-14 -4.213724512704e-14 ] [ 2.130894905664e-14 -2.24304726912e-14 -8.187122532288001e-14 ] [ 2.355199632576e-14 -8.97218907648e-14 1.84250311392e-14 ] [ -5.879988198335999e-14 4.373942174784e-14 4.678355732736e-14 ] [ -1.105501868352e-14 -4.8065298624e-15 2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399929266158e-18 } }