{ "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" [ [ 1.248143 2.607252 2.065498 ] [ 1.369551 0.7649094 4.123488 ] [ 1.757865 4.314259 0.9683886 ] [ 3.278515 2.86873 1.593912 ] [ 3.883205 5.101974 1.552288 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248143e-10 2.607252e-10 2.065498e-10 ] [ 1.369551e-10 7.649094e-11 4.123488e-10 ] [ 1.757865e-10 4.314259e-10 9.683886000000001e-11 ] [ 3.278515e-10 2.86873e-10 1.593912e-10 ] [ 3.883205e-10 5.101974000000001e-10 1.552288e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9725621 -6.5142568 4.6304622 ] [ 0.2929681 1.5294546 -1.187373 ] [ -8.2239223 9.847603 -5.9730087 ] [ 10.9507634 -9.5171347 1.728349 ] [ 3.9527528 4.6543339 0.8015706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.117127607573397e-08 -1.043699003283561e-08 7.418818341460234e-09 ] [ 4.693866443273753e-10 2.450456422883816e-09 -1.902381276442482e-09 ] [ -1.317617614889154e-08 1.57775994275083e-08 -9.569814973818716e-09 ] [ 1.75450572439424e-08 -1.52481308389706e-08 2.769120383197265e-09 ] [ 6.333008176138075e-09 7.457065021414092e-09 1.28425768582136e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.0760355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.928352203454507e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.526226 2.1561246 1.6273945 ] [ 1.1305186 1.644238 3.9842409 ] [ 1.182484 4.5922893 1.5885181 ] [ 3.9777567 2.3601172 1.5730209 ] [ 3.7202937 4.9043554 1.5304002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.526226e-10 2.1561246e-10 1.6273945e-10 ] [ 1.1305186e-10 1.644238e-10 3.9842409e-10 ] [ 1.182484e-10 4.5922893e-10 1.5885181e-10 ] [ 3.9777567e-10 2.3601172e-10 1.5730209e-10 ] [ 3.7202937e-10 4.9043554e-10 1.5304002e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -3.2e-06 7e-07 ] [ -4.6e-06 -1.16e-05 4.5e-06 ] [ -9.9e-06 1.54e-05 -1e-07 ] [ 1.34e-05 -2e-07 4.4e-06 ] [ 6.2e-06 -3e-07 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883169999999e-15 -5.1269652288e-15 1.1215236438e-15 ] [ -7.370012516399999e-15 -1.85852489544e-14 7.209794853e-15 ] [ -1.58615486766e-14 2.46735201636e-14 -1.602176634e-16 ] [ 2.14691668956e-14 -3.204353268e-16 7.0495771896e-15 ] [ 9.9334951308e-15 -4.806529901999999e-16 -1.53808956864e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.649402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.866439968447287e-18 } }