{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6695579 -5.0000102 -3.7692384 ] [ -1.9223026 1.5170959 -10.4216107 ] [ -1.3728119 -3.0828753 10.4152567 ] [ 2.7202437 1.3828927 -1.15514 ] [ -3.9788134 1.6342722 -0.2757451 ] [ -2.483214 -2.1130823 1.8023612 ] [ 7.7064562 5.661707 3.4041163 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.072750013651944e-09 -8.010899446201532e-09 -6.038985642701599e-09 ] [ -3.079868283823054e-09 2.430655582491535e-09 -1.669726101461912e-08 ] [ -2.199487130936028e-09 -4.939310730501786e-09 1.668708078437056e-08 ] [ 4.35831085901849e-09 2.215638353014988e-09 -1.850738301750912e-09 ] [ -6.374761808005759e-09 2.618392710863382e-09 -4.417923525201581e-10 ] [ -3.97854741524325e-09 -3.385531058886292e-09 2.887700976877033e-09 ] [ 1.234710395285921e-08 9.071054589219706e-09 5.4539955503442e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9377174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.111544861999736e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1377958 2.4524729 1.3089558 ] [ 0.8316919 3.7979016 2.4610077 ] [ 2.7218161 3.9433163 6.0090776 ] [ 4.283593 1.9559805 1.2517961 ] [ 3.9444799 2.2041794 6.5820813 ] [ 6.300506 2.7096182 1.7042792 ] [ 1.3158903 4.6077173 4.4526523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1377958e-10 2.4524729e-10 1.3089558e-10 ] [ 8.316919e-11 3.7979016e-10 2.4610077e-10 ] [ 2.7218161e-10 3.9433163e-10 6.009077600000001e-10 ] [ 4.283593e-10 1.9559805e-10 1.2517961e-10 ] [ 3.9444799e-10 2.2041794e-10 6.5820813e-10 ] [ 6.300506000000001e-10 2.7096182e-10 1.7042792e-10 ] [ 1.3158903e-10 4.6077173e-10 4.4526523e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3151624 -0.1808298 -0.2432645 ] [ 0.0189129 0.1911881 0.3371732 ] [ 0.1976902 -0.2407618 0.235761 ] [ -0.3170414 0.0947605 -0.0703827 ] [ -0.0402347 0.2006139 0.0775125 ] [ 0.127423 -0.0720658 -0.0210585 ] [ -0.3019123 0.0070949 -0.315741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.049458290352179e-10 -2.897212779039399e-10 -3.897526945706016e-10 ] [ 3.030180621152832e-11 3.063171039951725e-10 5.402110182003226e-10 ] [ 3.167346166012762e-10 -3.857429271417254e-10 3.777307622964288e-10 ] [ -5.079563189057011e-10 1.518230576753184e-10 -1.127655164487802e-10 ] [ -6.446309568490176e-11 3.214189003875092e-10 1.2418871531976e-10 ] [ 2.041541515521984e-10 -1.154621399192486e-10 -3.37394363691168e-11 ] [ -4.837168285919559e-10 1.136728290691392e-11 -5.058728484280128e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.185433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.593192235012481e-18 } }