{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.905521 1.741541 1.432593 ] [ 2.475113 5.398899 1.710867 ] [ 1.47054 3.340259 2.516001 ] [ 3.027539 3.458512 0.3041981 ] [ 3.800453 3.660633 2.737021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.905521e-10 1.741541e-10 1.432593e-10 ] [ 2.475113e-10 5.398899000000001e-10 1.710867e-10 ] [ 1.47054e-10 3.340259e-10 2.516001e-10 ] [ 3.027539e-10 3.458512e-10 3.041981e-11 ] [ 3.800453e-10 3.660633e-10 2.737021e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6185452 -8.1219217 -0.5732369 ] [ -1.1068547 7.440257 -0.4859905 ] [ -6.9203307 -0.9569679 3.6691286 ] [ 1.3377821 1.0372464 -7.7570598 ] [ 6.0708581 0.6013862 5.1471585 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.910186583480603e-10 -1.301275306370819e-08 -9.184267593598676e-10 ] [ -1.773376722962598e-09 1.192060581814354e-08 -7.786426170309025e-10 ] [ -1.10875920557445e-08 -1.533231596236072e-09 5.878592061628636e-09 ] [ 2.143363204344728e-09 1.661851932088965e-09 -1.242817985770752e-08 ] [ 9.726586916014308e-09 9.63526909711753e-10 8.246657012251997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 31.948094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.118648928592076e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2803321 -2.039234 1.3526751 ] [ 1.9524806 9.0621466 1.7394544 ] [ -1.4287659 2.9419231 4.0057555 ] [ 3.6516152 3.7971321 -3.0994567 ] [ 6.223504 3.8378762 4.7022518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2803321e-10 -2.039234e-10 1.3526751e-10 ] [ 1.9524806e-10 9.062146600000001e-10 1.7394544e-10 ] [ -1.4287659e-10 2.9419231e-10 4.005755500000001e-10 ] [ 3.6516152e-10 3.7971321e-10 -3.0994567e-10 ] [ 6.223504e-10 3.8378762e-10 4.7022518e-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 ] ] "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 ] ] } "relaxed-potential-energy" { "source-value" 1.7763568e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.846037335159101e-34 } }