{ "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" [ [ -6.413253 -12.9369069 4.8629938 ] [ -4.5352737 12.9773879 -2.1784171 ] [ 3.669485 -6.3122372 -20.5933217 ] [ -40.1133696 3.7851932 0.0235224 ] [ 18.5291141 -24.3424989 -11.2956586 ] [ 24.5302395 20.2388773 7.3376201 ] [ 4.3330577 6.5901846 21.8432612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.027516401987546e-08 -2.07272097806462e-08 7.791374973455351e-09 ] [ -7.266309491069113e-09 2.079206749243281e-08 -3.490208947970936e-09 ] [ 5.879163077376288e-09 -1.011331886678405e-08 -3.299413857235331e-08 ] [ -6.426870295462945e-08 6.064548050251139e-09 3.768703934510592e-11 ] [ 2.968691341515563e-08 -3.900098262942972e-08 -1.809764012545846e-08 ] [ 3.930177622952468e-08 3.242625604129983e-08 1.175616337653216e-08 ] [ 6.942323743517421e-09 1.05586396928762e-08 3.499676241666776e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.879861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.743145893175371e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1148993 1.7908392 3.9521778 ] [ 2.2647443 4.6967636 1.9853734 ] [ 3.4192506 3.0784399 0.7040557 ] [ 0.6131963 3.3682265 3.0324988 ] [ 3.3181275 1.1193286 2.0299599 ] [ 3.7085352 5.1593755 3.8006063 ] [ 3.6075738 3.2002637 5.126523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1148993e-10 1.7908392e-10 3.9521778e-10 ] [ 2.2647443e-10 4.6967636e-10 1.9853734e-10 ] [ 3.4192506e-10 3.0784399e-10 7.040557e-11 ] [ 6.131963000000001e-11 3.3682265e-10 3.0324988e-10 ] [ 3.3181275e-10 1.1193286e-10 2.0299599e-10 ] [ 3.7085352e-10 5.1593755e-10 3.8006063e-10 ] [ 3.6075738e-10 3.2002637e-10 5.126523e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 2.12e-05 1.44e-05 ] [ 1.62e-05 -1.02e-05 2.86e-05 ] [ -7.51e-05 2.5e-06 -2.36e-05 ] [ 2.45e-05 1.59e-05 -3.29e-05 ] [ 5.88e-05 -2.9e-06 1.71e-05 ] [ 9.1e-06 7e-07 -6.9e-06 ] [ -3.21e-05 -2.72e-05 3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 3.396614436096001e-14 2.307134333952e-14 ] [ 2.595526125696e-14 -1.634220153216e-14 4.582225135488e-14 ] [ -1.2032346422208e-13 4.005441552e-15 -3.781136825088e-14 ] [ 3.92533272096e-14 2.547460827072e-14 -5.271161082432e-14 ] [ 9.420798530304e-14 -4.646312200320001e-15 2.739722021568e-14 ] [ 1.457980724928e-14 1.12152363456e-15 -1.105501868352e-14 ] [ -5.142986952768e-14 -4.357920408576e-14 5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }