{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1336529 0.4653843 4.3414842 ] [ -0.0180601 2.3344561 -0.9737763 ] [ -1.7909661 0.7744164 -2.8120275 ] [ -0.0128948 -0.5941243 -1.536521 ] [ -0.4807304 -5.5835744 -3.9563871 ] [ -2.5511034 6.5586328 -0.8674835 ] [ 1.720102 -3.9551909 5.8047112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.02066541408212e-09 7.456278451473734e-10 6.955824484812592e-09 ] [ -2.893546998931008e-11 3.740210985703948e-09 -1.560161621749127e-09 ] [ -2.869444014065355e-09 1.240751850844101e-09 -4.505364717546672e-09 ] [ -2.065974708989184e-11 -9.518920633091656e-10 -2.461778023568237e-09 ] [ -7.702150077878324e-10 -8.945872364177387e-09 -6.338830914454712e-09 ] [ -4.087318224723391e-09 1.050808813657204e-08 -1.389861782629757e-09 ] [ 2.755907209791322e-09 -6.336914390780911e-09 9.300172575135913e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.037566 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.768413019573697e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2337981 2.9063379 2.9581226 ] [ 2.6880088 2.3840879 1.3507271 ] [ 1.2399626 1.7585074 4.8294516 ] [ 1.2109487 5.1161633 2.7360995 ] [ 4.0707414 3.9439719 2.1108076 ] [ 3.1030104 5.9330242 1.9310366 ] [ 4.8886907 3.5562974 4.127097 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2337981e-10 2.9063379e-10 2.9581226e-10 ] [ 2.6880088e-10 2.3840879e-10 1.3507271e-10 ] [ 1.2399626e-10 1.7585074e-10 4.8294516e-10 ] [ 1.2109487e-10 5.1161633e-10 2.7360995e-10 ] [ 4.0707414e-10 3.9439719e-10 2.1108076e-10 ] [ 3.1030104e-10 5.9330242e-10 1.9310366e-10 ] [ 4.8886907e-10 3.5562974e-10 4.127097e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0203485 0.8099523 -0.6211738 ] [ -0.2094036 -0.1383629 0.0876908 ] [ -0.2629825 -0.363983 0.5253047 ] [ -0.0791248 -0.547546 -0.0164399 ] [ 0.6388359 -0.0669634 0.5903305 ] [ -0.246668 0.2639517 -0.0257005 ] [ 0.1796915 0.0429515 -0.5400119 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.26018909683488e-11 1.297686639023188e-09 -9.95230139813495e-10 ] [ -3.355015522313549e-10 -2.216818035660884e-10 1.404961496192487e-10 ] [ -4.21344413179536e-10 -5.831650529686464e-10 8.416309091363577e-10 ] [ -1.267719046854758e-10 -8.772654000125567e-10 -2.633962342828992e-11 ] [ 1.023527943507727e-09 -1.072871939292787e-10 9.458137256451744e-10 ] [ -3.952057026994944e-10 4.228972427604154e-10 -4.11767402428704e-11 ] [ 2.878975202564832e-10 6.88158891282912e-11 -8.651944411337875e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.781673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.36828508969106e-18 } }