{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.19949 5.784101 5.526659 5.339614 5.192619 5.071512 4.968525 4.878935 4.799655 4.728554 4.664102 4.605161 4.550861 4.500526 4.453616 4.409693 4.368401 4.329441 4.292564 4.257559 4.224246 4.192467 4.162087 4.13299 4.113181 4.092333 4.070331 4.047039 4.022297 3.995912 3.967651 3.937225 3.904277 3.868348 3.828846 3.784982 3.73567 3.679362 3.613741 3.535103 3.436974 3.30639 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.19949e-10 5.784101e-10 5.526659000000001e-10 5.339614e-10 5.192619e-10 5.071512e-10 4.968525e-10 4.878935e-10 4.799655e-10 4.728554e-10 4.664102e-10 4.605161e-10 4.550861e-10 4.500526e-10 4.4536160000000005e-10 4.409693e-10 4.3684010000000005e-10 4.329441e-10 4.2925639999999996e-10 4.2575589999999997e-10 4.224246e-10 4.192467e-10 4.162087e-10 4.1329900000000005e-10 4.113181e-10 4.092333e-10 4.0703310000000005e-10 4.047039e-10 4.022297e-10 3.9959120000000003e-10 3.967651e-10 3.9372250000000003e-10 3.904277e-10 3.8683480000000003e-10 3.828846e-10 3.784982e-10 3.73567e-10 3.679362e-10 3.6137410000000003e-10 3.535103e-10 3.436974e-10 3.30639e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.70781 2.28498 2.70681 3.03976 3.31297 3.54237 3.73785 3.90605 4.05168 4.17824 4.28842 4.3843 4.4676 4.53968 4.60171 4.65465 4.69932 4.73644 4.7666 4.79035 4.80816 4.82044 4.82758 4.82988 4.82878 4.82515 4.81845 4.808 4.79294 4.77213 4.74411 4.70694 4.65798 4.59359 4.50858 4.39539 4.24246 4.03142 3.73113 3.28445 2.57412 1.31496 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.73621327731154e-19 3.66094156515732e-19 4.3367877346775395e-19 4.870232444967839e-19 5.30796312314298e-19 5.67550244298258e-19 5.9886959313969e-19 6.2581820412357e-19 6.491507024445119e-19 6.69427849924416e-19 6.87080632077828e-19 7.024423016446199e-19 7.157884330058399e-19 7.273369221837119e-19 7.372752238444139e-19 7.457571469448099e-19 7.52914069968888e-19 7.58861349634296e-19 7.6369351436244e-19 7.6749868386819e-19 7.70352160453344e-19 7.723196333598959e-19 7.73463587476572e-19 7.73832088102392e-19 7.73655848672652e-19 7.730742585545099e-19 7.7200080020973e-19 7.703265256271999e-19 7.679136476163959e-19 7.645795180410419e-19 7.600902191125739e-19 7.54134928563996e-19 7.462906717639319e-19 7.359742564176059e-19 7.22354152851972e-19 7.04219115531726e-19 6.79717028267964e-19 6.45904692584028e-19 5.977929304416419e-19 5.262269045541299e-19 4.12419491711208e-19 2.1067981866446396e-19 ] } }