{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.0553869 -10.709527 2.1536294 ] [ 14.3978299 -9.3645618 -10.097305 ] [ 4.422261 -19.4741734 5.8772915 ] [ 13.6964516 15.3423905 -4.3112363 ] [ -9.0495927 2.7323687 -20.2219057 ] [ 6.8008345 2.6906114 20.0278409 ] [ -10.2123975 18.7828916 6.5716852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.213227201227859e-08 -1.715855377922636e-08 3.450494674547531e-09 ] [ 2.30678664560352e-08 -1.500368197999677e-08 -1.617766600408694e-08 ] [ 7.085243185275629e-09 -3.120106533088525e-08 9.416459034926564e-09 ] [ 2.194413454143875e-08 2.458121936628402e-08 -6.907362006604295e-09 ] [ -1.449904585170235e-08 4.377737250545689e-09 -3.239906454056226e-08 ] [ 1.089613803783006e-08 4.310834680737957e-09 3.208813845508203e-08 ] [ -1.636206451681637e-08 3.009350979254071e-08 1.052900038669737e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 98.631801 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.580255656295981e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0265912 1.3591955 3.4220324 ] [ 7.5485815 1.0678498 -0.0109258 ] [ 4.8425073 -1.1747151 4.2196847 ] [ 6.7968015 6.1751384 1.8865541 ] [ 2.6289414 3.6727326 -0.8432684 ] [ 5.3620177 3.6682001 6.7869553 ] [ 1.6914683 6.5800538 3.8919508 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65912e-12 1.3591955e-10 3.4220324e-10 ] [ 7.5485815e-10 1.0678498e-10 -1.09258e-12 ] [ 4.8425073e-10 -1.1747151e-10 4.219684700000001e-10 ] [ 6.7968015e-10 6.1751384e-10 1.8865541e-10 ] [ 2.6289414e-10 3.6727326e-10 -8.432684e-11 ] [ 5.3620177e-10 3.6682001e-10 6.7869553e-10 ] [ 1.6914683e-10 6.5800538e-10 3.8919508e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -4.4408921e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.115093498115416e-34 } }