{ "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" [ [ 0.4264597 0.3568663 1.24612 ] [ 0.1993437 1.82063 0.3429825 ] [ 0.3583889 1.799016 2.47518 ] [ 1.901803 0.1168384 0.4528213 ] [ 1.669099 0.8043485 2.197104 ] [ 2.479285 2.402454 1.01494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.264597e-11 3.568663e-11 1.24612e-10 ] [ 1.993437e-11 1.82063e-10 3.429825e-11 ] [ 3.583889e-11 1.799016e-10 2.47518e-10 ] [ 1.901803e-10 1.168384e-11 4.528213e-11 ] [ 1.669099e-10 8.043485000000001e-11 2.197104e-10 ] [ 2.479285e-10 2.402454e-10 1.01494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.8803246 -28.0673398 -4.5827851 ] [ -0.9712426 14.8635774 -12.0770939 ] [ -14.4976351 21.2092165 13.7606455 ] [ 18.5514272 -5.6950804 -19.478551 ] [ 32.7254993 -2.324079 23.5715981 ] [ -1.9277243 0.0137053 -1.1938136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.428226397923511e-08 -4.496883563560935e-08 -7.342431145370589e-09 ] [ -1.556102186845006e-09 2.381407621173125e-08 -1.934963749378629e-08 ] [ -2.322777201410947e-08 3.39809108217856e-08 2.204698450721673e-08 ] [ 2.97226629423132e-08 -9.124524670456313e-09 -3.120807901926046e-08 ] [ 5.243202988246677e-08 -3.723585038692243e-09 3.77658633907137e-08 ] [ -3.088554804808046e-09 2.195831124105024e-11 -1.912700239513083e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.28497746950932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.609141017190258e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0359033 -0.0066164 1.4312377 ] [ 0.2737097 1.9072454 0.0536629 ] [ 0.3301903 2.1305918 2.4124832 ] [ 2.0146034 0.3027913 0.1638987 ] [ 2.0710825 0.5261411 2.5227198 ] [ 2.30889 2.44 1.1451455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.59033e-12 -6.6164e-13 1.4312377e-10 ] [ 2.737097e-11 1.9072454e-10 5.36629e-12 ] [ 3.301903e-11 2.1305918e-10 2.4124832e-10 ] [ 2.0146034e-10 3.027913e-11 1.638987e-11 ] [ 2.0710825e-10 5.261411000000001e-11 2.5227198e-10 ] [ 2.30889e-10 2.44e-10 1.1451455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-05 3.5e-06 -3.23e-05 ] [ 2.02e-05 -3.37e-05 -1.4e-06 ] [ 1.28e-05 1.98e-05 1.53e-05 ] [ -4.13e-05 5.7e-06 -6e-07 ] [ 2.5e-06 -3e-07 1.02e-05 ] [ -1.42e-05 5e-06 8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-14 5.6076181728e-15 -5.175030485184e-14 ] [ 3.236396774016e-14 -5.399335212096e-14 -2.24304726912e-15 ] [ 2.050786074624e-14 3.172309709184e-14 2.451330229824e-14 ] [ -6.616989443904001e-14 9.13240673856e-15 -9.6130597248e-16 ] [ 4.005441552e-15 -4.8065298624e-16 1.634220153216e-14 ] [ -2.275090801536e-14 8.010883104e-15 1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }