{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0310403 -5.7551281 -7.0958196 ] [ -15.1997919 -4.3100822 9.0116831 ] [ -17.9066678 14.7927982 -9.1297055 ] [ 16.8115019 -16.9074674 -12.791957 ] [ 5.9154971 -8.938583 8.4916807 ] [ 6.7032124 5.8681521 -9.0277581 ] [ 7.7072885 15.2503103 20.5418764 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.458438526162618e-09 -9.220731691529125e-09 -1.136875626853441e-08 ] [ -2.435275122320521e-08 -6.905512934566229e-09 1.443830797687847e-08 ] [ -2.868964450559217e-08 2.370067543225232e-08 -1.462740070688917e-08 ] [ 2.693499530471478e-08 -2.708874898521816e-08 -2.049497443967891e-08 ] [ 9.4776711540302e-09 -1.432118870568033e-08 1.360517228883858e-08 ] [ 1.073973019153666e-08 9.401816101918423e-09 -1.446406296605783e-08 ] [ 1.23484374444607e-08 2.443369062260544e-08 3.291171411544327e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.93601172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.499656094578796e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9589281 0.3356417 1.6815064 ] [ 0.9643238 1.7795255 3.2688275 ] [ 1.2290051 3.8797493 2.2161755 ] [ 3.7108605 1.6278811 0.7502584 ] [ 2.5535724 1.9308756 5.0138205 ] [ 3.5629687 3.6963237 1.8874868 ] [ 4.3054935 3.2231239 4.0825619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9589281e-10 3.356417e-11 1.6815064e-10 ] [ 9.643238e-11 1.7795255e-10 3.2688275e-10 ] [ 1.2290051e-10 3.8797493e-10 2.2161755e-10 ] [ 3.7108605e-10 1.6278811e-10 7.502584e-11 ] [ 2.5535724e-10 1.9308756e-10 5.0138205e-10 ] [ 3.5629687e-10 3.696323700000001e-10 1.8874868e-10 ] [ 4.3054935e-10 3.2231239e-10 4.0825619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 -1.39e-05 5e-06 ] [ 1.41e-05 -1.81e-05 -1.82e-05 ] [ -1.82e-05 4.3e-06 -7.4e-06 ] [ -2.91e-05 7.3e-06 -2.4e-06 ] [ 2.6e-06 1.98e-05 -2.35e-05 ] [ 1.92e-05 -7e-06 1.75e-05 ] [ 2.04e-05 7.6e-06 2.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.457980724928e-14 -2.227025502912e-14 8.010883104e-15 ] [ 2.259069035328e-14 -2.899939683648e-14 -2.915961449856e-14 ] [ -2.915961449856e-14 6.889359469440001e-15 -1.185610699392e-14 ] [ -4.662333966527999e-14 1.169588933184e-14 -3.84522388992e-15 ] [ 4.16565921408e-15 3.172309709184e-14 -3.76511505888e-14 ] [ 3.076179111936e-14 -1.12152363456e-14 2.8038090864e-14 ] [ 3.268440306432e-14 1.217654231808e-14 4.662333966527999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }