{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2915138 -7.8995001 7.2427596 ] [ 1.4633139 10.2810509 -5.1065445 ] [ -14.9329169 1.7007319 -9.4220287 ] [ -2.7411696 12.0341326 9.1672076 ] [ 7.4092237 -13.7635947 -8.4879128 ] [ 3.5069112 -0.1929922 0.2059839 ] [ 9.5861515 -2.1598283 6.4005349 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.875763078200567e-09 -1.265639437622726e-08 1.160418010119476e-08 ] [ 2.344487319471669e-09 1.64720593892348e-08 -8.181586210974826e-09 ] [ -2.392517033752921e-08 2.724872888428764e-09 -1.509575410364662e-08 ] [ -4.391837846767689e-09 1.928080590332712e-08 1.468748569474008e-08 ] [ 1.187088499041727e-08 -2.205170964650679e-08 -1.359913544754907e-08 ] [ 5.618691135861672e-09 -3.092075908367577e-10 3.300225888412051e-10 ] [ 1.535870781674685e-08 -3.460426407202209e-09 1.025478737739447e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.248667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.603323438656448e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7114859 2.359328 3.1280612 ] [ 3.9430704 6.4225881 0.4761767 ] [ 0.5301424 2.9521592 1.009239 ] [ 3.0134483 5.7215829 4.7793244 ] [ 2.6045392 2.2017053 0.9134656 ] [ 4.8062024 4.8735545 1.0578295 ] [ 4.0255104 4.2996149 4.1184566 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.114859000000001e-11 2.359328e-10 3.1280612e-10 ] [ 3.9430704e-10 6.4225881e-10 4.761767000000001e-11 ] [ 5.301424e-11 2.9521592e-10 1.009239e-10 ] [ 3.0134483e-10 5.721582899999999e-10 4.7793244e-10 ] [ 2.6045392e-10 2.2017053e-10 9.134656e-11 ] [ 4.806202400000001e-10 4.873554500000001e-10 1.0578295e-10 ] [ 4.0255104e-10 4.2996149e-10 4.1184566e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0003942 -0.0011653 0.0044964 ] [ 0.0007362 0.000924 -0.0012192 ] [ -0.0015759 0.0009837 -0.0044327 ] [ 0.0007718 -0.0012778 -0.0002088 ] [ 0.0011741 0.0001826 3.43e-05 ] [ -0.0010006 -0.0005116 0.0010009 ] [ -0.0004998 0.0008643 0.0003291 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.3157802391936e-13 -1.86701641621824e-12 7.204026957765121e-12 ] [ 1.17952242823296e-12 1.4804111976192e-12 -1.95337373607936e-12 ] [ -2.52487013671872e-12 1.57606114188096e-12 -7.101968307020161e-12 ] [ 1.23655991593344e-12 -2.04726128605824e-12 -3.3453447842304e-13 ] [ 1.88111557048128e-12 2.9255745095808e-13 5.495465809344e-14 ] [ -1.60313792677248e-12 -8.1967355920128e-13 1.60361857975872e-12 ] [ -8.0076787507584e-13 1.38476125335744e-12 5.2727632590528e-13 ] ] } "relaxed-potential-energy" { "source-value" -29.919448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.793624009284132e-18 } }