{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0986311 -6.7915233 -3.979793 ] [ -4.4630254 -7.7464359 11.7670542 ] [ -7.1635594 8.574722 -6.9000913 ] [ 5.9119581 -0.6966006 -3.8299428 ] [ 3.3792791 -1.4068636 0.5820829 ] [ -0.0400097 -0.806637 0.4251382 ] [ 3.4739885 8.8733382 1.9355517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.760201063303787e-09 -1.088121985087847e-08 -6.376331300223494e-09 ] [ -7.150554953916569e-09 -1.241115849350581e-08 1.885289913492645e-08 ] [ -1.147728739239208e-08 1.373821911825942e-08 -1.105516496224548e-08 ] [ 9.472001050969188e-09 -1.116077195355253e-09 -6.13624481316129e-09 ] [ 5.414201969178066e-09 -2.254043968574523e-09 9.325996137474642e-10 ] [ -6.410260594522177e-11 -1.29237494287225e-09 6.811464846489946e-10 ] [ 5.565943155628061e-09 1.421665501249155e-08 3.101095682089695e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.292912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.649106296635177e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7322131 2.1026457 1.8815346 ] [ 2.5714366 2.0696535 4.4833009 ] [ 1.7995417 4.1622192 3.1337444 ] [ 5.072693 2.5922958 2.0446448 ] [ 4.7443812 3.094496 4.4160644 ] [ 5.0983835 4.9515787 1.6252798 ] [ 3.8691069 5.250133 3.6605871 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7322131e-10 2.1026457e-10 1.8815346e-10 ] [ 2.5714366e-10 2.0696535e-10 4.4833009e-10 ] [ 1.7995417e-10 4.1622192e-10 3.1337444e-10 ] [ 5.072693e-10 2.5922958e-10 2.0446448e-10 ] [ 4.744381200000001e-10 3.094496e-10 4.4160644e-10 ] [ 5.0983835e-10 4.9515787e-10 1.6252798e-10 ] [ 3.8691069e-10 5.250133e-10 3.6605871e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.21e-05 -1.36e-05 1.81e-05 ] [ 1.93e-05 -2.47e-05 -4.5e-06 ] [ 2.34e-05 3.84e-05 7.8e-06 ] [ -1.09e-05 1.05e-05 1.1e-06 ] [ -2.69e-05 1.49e-05 -4.47e-05 ] [ 9e-06 -2.81e-05 2.42e-05 ] [ -2.6e-05 2.6e-06 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.938633711168e-14 -2.178960204288e-14 2.899939683648e-14 ] [ 3.092200878144e-14 -3.957376253376001e-14 -7.2097947936e-15 ] [ 3.749093292672001e-14 6.152358223872e-14 1.249697764224e-14 ] [ -1.746372516672e-14 1.68228545184e-14 1.76239428288e-15 ] [ -4.309855109952001e-14 2.387243164992e-14 -7.161729494976001e-14 ] [ 1.44195895872e-14 -4.502116304448e-14 3.877267422336e-14 ] [ -4.16565921408e-14 4.16565921408e-15 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }